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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (31)
Oxadiazoles (2)
Oxazoles (3)
Pyrazoles (6)
Thiadiazoles (4)
Thiazoles (1)
Triazoles (6)

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Keyword Search:
1 – 15 of 22 results
1

Raltegravir potassium salt

CAS: 871038-72-1 Molecular Formula: C20H20FKN6O5 Molecular Weight (g/mol): 482.51 InChI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M Synonym: raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide PubChem CID: 23668479 IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]

PubChem CID 23668479
CAS 871038-72-1
Molecular Weight (g/mol) 482.51
SMILES CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
Synonym raltegravir potassium,raltegravir potassium salt,raltegravirpotassiumsalt,raltegravir mk-0518,potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate,isentress tn,raltegravir potassium usan:jan,pubchem22484,n-1-4-4-fluorophenyl methylcarbamoyl-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl-1-methyl-ethyl-5-methyl-1,3,4-oxadiazole-2-carboxamide
IUPAC Name potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
InChI Key IFUKBHBISRAZTF-UHFFFAOYSA-M
Molecular Formula C20H20FKN6O5
2

Nalidixic acid sodium salt

CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12

CAS 5-8-3374
Molecular Weight (g/mol) 254.22
SMILES [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
IUPAC Name sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
InChI Key ROKRAUFZFDQWLE-UHFFFAOYSA-M
Molecular Formula C12H11N2NaO3
3

1,2,4-Triazole, sodium salt, 90%, technical

CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.05 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]

PubChem CID 4649906
CAS 41253-21-8
Molecular Weight (g/mol) 91.05
MDL Number MFCD00044437
SMILES C1=NC=N[N-]1.[Na+]
Synonym sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt
IUPAC Name sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
InChI Key NVMNEWNGLGACBB-UHFFFAOYSA-N
Molecular Formula C2H2N3Na
4

2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt, 97%

CAS: 4628-94-8 Molecular Formula: C2K2N2S3 Molecular Weight (g/mol): 226.413 MDL Number: MFCD00003104 InChI Key: GPWLFGDMYSVEGN-UHFFFAOYSA-L Synonym: 2,5-dimercapto-1,3,4-thiadiazole, dipotassium salt,dipotassium 1,3,4-thiadiazole-2,5-dithiolate,dipotassium 1,3,4-thiadiazole-2,5-bis thiolate,1,3,4-thiadiazolidine-2,5-dithione, dipotassium salt,1,3,4-thiadiazolidine-2,5-dithione, potassium salt 1:2,dipotassium 5-sulfanidyl-1,3,4-thiadiazol-2-yl sulfanide,2,5-dimercapto-1,3,4-thiadiazole dipotassium salt,1,3,4-thiadiazole-2,5-dithiol dipotassium salt,2,5-di potassiothio-1,3,4-thiadiazole PubChem CID: 78364 IUPAC Name: dipotassium;1,3,4-thiadiazole-2,5-dithiolate SMILES: C1(=NN=C(S1)[S-])[S-].[K+].[K+]

PubChem CID 78364
CAS 4628-94-8
Molecular Weight (g/mol) 226.413
MDL Number MFCD00003104
SMILES C1(=NN=C(S1)[S-])[S-].[K+].[K+]
Synonym 2,5-dimercapto-1,3,4-thiadiazole, dipotassium salt,dipotassium 1,3,4-thiadiazole-2,5-dithiolate,dipotassium 1,3,4-thiadiazole-2,5-bis thiolate,1,3,4-thiadiazolidine-2,5-dithione, dipotassium salt,1,3,4-thiadiazolidine-2,5-dithione, potassium salt 1:2,dipotassium 5-sulfanidyl-1,3,4-thiadiazol-2-yl sulfanide,2,5-dimercapto-1,3,4-thiadiazole dipotassium salt,1,3,4-thiadiazole-2,5-dithiol dipotassium salt,2,5-di potassiothio-1,3,4-thiadiazole
IUPAC Name dipotassium;1,3,4-thiadiazole-2,5-dithiolate
InChI Key GPWLFGDMYSVEGN-UHFFFAOYSA-L
Molecular Formula C2K2N2S3
5

Tetrakis(1-pyrazolyl)borate, potassium salt, 95%

CAS: 14782-58-2 Molecular Formula: C12H12BKN8 Molecular Weight (g/mol): 318.2 MDL Number: MFCD00800557 InChI Key: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC Name: potassium;tetra(pyrazol-1-yloxy)boranuide SMILES: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]

PubChem CID 92043288
CAS 14782-58-2
Molecular Weight (g/mol) 318.2
MDL Number MFCD00800557
SMILES [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
Synonym tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide
IUPAC Name potassium;tetra(pyrazol-1-yloxy)boranuide
InChI Key RKBGLZQVHBLUBM-UHFFFAOYSA-N
Molecular Formula C12H12BKN8
6

Metamizole Magnesium Salt, TRC

CAS: 63372-86-1 Molecular Formula: 2 C13 H16 N3 O4 S . Mg Molecular Weight (g/mol): 645 Synonym: Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino-κN]methanesulfonato-κO]-, (T-4)- (9CI),Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonato]-, (T-4)-,Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, magnesium complex,Magnalgin,Magnesium dipyrone,Metamizole Magnesium complex IUPAC Name: magnesium;[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate SMILES: [Mg+2].CN1N(C(=O)C(=C1C)CNCS(=O)(=O)[O-])c2ccccc2.CN3N(C(=O)C(=C3C)CNCS(=O)(=O)[O-])c4ccccc4

CAS 63372-86-1
Molecular Weight (g/mol) 645
SMILES [Mg+2].CN1N(C(=O)C(=C1C)CNCS(=O)(=O)[O-])c2ccccc2.CN3N(C(=O)C(=C3C)CNCS(=O)(=O)[O-])c4ccccc4
Synonym Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino-κN]methanesulfonato-κO]-, (T-4)- (9CI),Magnesium, bis[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonato]-, (T-4)-,Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, magnesium complex,Magnalgin,Magnesium dipyrone,Metamizole Magnesium complex
IUPAC Name magnesium;[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methylamino]methanesulfonate
Molecular Formula 2 C13 H16 N3 O4 S . Mg
7

Melaminsulfone Sodium Salt, TRC

CAS: 129-89-5 Molecular Formula: C12 H14 N3 O4 S . Na Molecular Weight (g/mol): 319.31 Synonym: [(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methanesulfonic Acid Sodium Salt,4-N-Desmethylmetamizole Sodium Salt,Melaminsulfone Sodium Salt,Metamizol Sodium Imp. E (EP) as Sodium Salt IUPAC Name: sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate SMILES: [Na+].CN1N(C(=O)C(=C1C)NCS(=O)(=O)[O-])c2ccccc2

CAS 129-89-5
Molecular Weight (g/mol) 319.31
SMILES [Na+].CN1N(C(=O)C(=C1C)NCS(=O)(=O)[O-])c2ccccc2
Synonym [(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methanesulfonic Acid Sodium Salt,4-N-Desmethylmetamizole Sodium Salt,Melaminsulfone Sodium Salt,Metamizol Sodium Imp. E (EP) as Sodium Salt
IUPAC Name sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate
Molecular Formula C12 H14 N3 O4 S . Na
8

Pilocarpic Acid Sodium Salt, TRC

CAS: 92598-79-3 Molecular Formula: C11 H17 N2 O3 . Na Molecular Weight (g/mol): 248.25 Synonym: (2S,3R)-2-Ethyl-3-(hydroxymethyl)-4-(1-methyl-1H-imidazol-5-yl)butanoic Acid Sodium Salt,Pilocarpine Hydrochloride Imp. B (EP) as Sodium Salt,Pilocarpic Acid Sodium Salt,1H-Imidazole-5-butanoic acid, α-ethyl-β-(hydroxymethyl)-1-methyl-, monosodium salt, [S-(R*,S*)]- (9CI),Sodium pilocarpate IUPAC Name: sodium;(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate SMILES: [Na+].CC[C@@H]([C@H](CO)Cc1cncn1C)C(=O)[O-]

CAS 92598-79-3
Molecular Weight (g/mol) 248.25
SMILES [Na+].CC[C@@H]([C@H](CO)Cc1cncn1C)C(=O)[O-]
Synonym (2S,3R)-2-Ethyl-3-(hydroxymethyl)-4-(1-methyl-1H-imidazol-5-yl)butanoic Acid Sodium Salt,Pilocarpine Hydrochloride Imp. B (EP) as Sodium Salt,Pilocarpic Acid Sodium Salt,1H-Imidazole-5-butanoic acid, α-ethyl-β-(hydroxymethyl)-1-methyl-, monosodium salt, [S-(R*,S*)]- (9CI),Sodium pilocarpate
IUPAC Name sodium;(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate
Molecular Formula C11 H17 N2 O3 . Na
10

1-(4-Chloromethyl-2-thiazoyl)guanidine Hydrochloride Salt, TRC

CAS: 69014-12-6 Molecular Formula: C5 H7 Cl N4 S . Cl H Molecular Weight (g/mol): 227.11 IUPAC Name: 1-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride SMILES: Cl.NC(=N)Nc1nc(CCl)cs1

CAS 69014-12-6
Molecular Weight (g/mol) 227.11
SMILES Cl.NC(=N)Nc1nc(CCl)cs1
IUPAC Name 1-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
Molecular Formula C5 H7 Cl N4 S . Cl H
11

ADU-S100 ammonium salt, MedChemExpress

MedChemExpress ADU-S100 ammonium salt (MIW815 ammonium salt), an activator of stimulator of interferon genes (STING), leads to potent and systemic tumor regression and immunity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 724.6
Color White
Physical Form Solid
Chemical Name or Material ADU-S100 ammonium salt
Grade Research
SMILES OC1([H])[C@](O[P@](S)(OC[C@](O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H]4O)([H])[C@@]4([H])O5)=O)([H])[C@H](N6C7=NC=NC(N)=C7N=C6)O[C@]1([H])CO[P@]5(S)=O.N.N
For Use With (Application) COVID-19-immunoregulation
Percent Purity 95.87%
CAS 1638750-96-5
Solubility Information DMSO : 15 mg/mL (20.70 mM; Need ultrasonic and warming) ∣H2O : 0.5 mg/mL (0.69 mM; ultrasonic and warming and heat to 60°C)
Synonym MIW815 ammonium saltML RR-S2 CDA ammonium salt
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C20H30N12O10P2S2
Formula Weight 724.6
12

NADH disodium salt, MedChemExpress

MedChemExpress NADH disodium salt (Disodium NADH) is an orally active reduced coenzyme. NADH disodium salt is a donor of ADP-ribose units in ADP-ribosylaton reactions and a precursor of cyclic ADP-ribose. NADH disodium salt plays a role as a regenerative electron donor in cellular energy metabolism, including glycolysis, β-oxidation and the tricarboxylic acid (TCA) cycle.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 709.4
Color Light Yellow
Physical Form Solid
Chemical Name or Material NADH disodium salt
Grade Research
SMILES NC1=C2C(N([C@H]3[C@H](O)[C@H](O)[C@@H](COP(OP([O-])(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H](N5C=C(C(N)=O)CC=C5)O4)=O)([O-])=O)O3)C=N2)=NC=N1.[Na+].[Na+]
Percent Purity 95.0%
CAS 606-68-8
Solubility Information H2O : ≥ 100 mg/mL (140.96 mM) ∣DMSO : 100 mg/mL (140.96 mM; Need ultrasonic)
Synonym Disodium NADH
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C21H27N7Na2O14P2
Formula Weight 709.4
13

NADPH tetrasodium salt, MedChemExpress

MedChemExpress NADPH tetrasodium salt functions as an important cofactor in a variety of metabolic and biosynthetic pathways.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 833.35
Color White
Physical Form Solid
Chemical Name or Material NADPH tetrasodium salt
Grade Research
SMILES NC1=C2C(N([C@H]3[C@H](OP(O[Na])(O[Na])=O)[C@H](O)[C@@H](COP(OP(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H](N5C=C(C(N)=O)CC=C5)O4)(O[Na])=O)(O[Na])=O)O3)C=N2)=NC=N1
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.0%
CAS 2646-71-1
Solubility Information H2O : ≥ 35 mg/mL (42.00 mM) ∣DMSO : 10 mg/mL (12.00 mM; ultrasonic and warming and adjust pH to 3 with HCl and heat to 60°C)
Health Hazard 1 H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage -20°C, stored under nitrogen, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen, away from moisture)
Shelf Life -20°C, stored under nitrogen, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (stored under nitrogen, away from moisture)
Molecular Formula C21H26N7Na4O17P3
Formula Weight 833.35
14

ATP disodium salt, MedChemExpress

MedChemExpress ATP disodium salt (Adenosine 5'-triphosphate disodium salt) is a central component of energy storage and metabolism in vivo, provides the metabolic energy to drive metabolic pumps and serves as a coenzyme in cells. ATP disodium salt is an important endogenous signaling molecule in immunity and inflammation.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 551.14
Color White
Physical Form Powder
Chemical Name or Material ATP disodium salt
Grade Research
SMILES O[C@@H]([C@H]([C@H](N1C=NC2=C1N=CN=C2N)O3)O)[C@H]3COP(O)(OP(OP([O-])(O)=O)([O-])=O)=O.[Na+].[Na+]
For Use With (Application) Metabolism-protein/nucleotide metabolism
Percent Purity 98.0%
CAS 987-65-5
Solubility Information H2O : 100 mg/mL (181.44 mM; Need ultrasonic) ∣DMSO : 1 mg/mL (1.81 mM; ultrasonic and warming and heat to 80°C)
Health Hazard 1 H302∣H315∣H319∣H335
Synonym Adenosine 5'-triphosphate disodium salt Disodium adenosine triphosphate
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C10H14N5Na2O13P3
Formula Weight 551.14
15

AVE 0991 sodium salt, MedChemExpress

MedChemExpress AVE 0991 sodium salt is a nonpeptide and orally active Ang-(1-7) receptor Mas agonist. AVE 0991 competes for high-affinity binding of [125I]-Ang-(1-7) to bovine aortic endothelial cell membranes with IC50 of 21 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 602.7
Color Off-White
Physical Form Solid
Chemical Name or Material AVE 0991 sodium salt
Grade Research
SMILES O=S(C1=C(C2=CC=C(CN3C(C=O)=C(OC)N=C3C4=CC=CC=C4)C=C2)C=C(CC(C)C)S1)([N-]C(NCC)=O)=O.[Na+]
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.28%
CAS 306288-04-0
Solubility Information DMSO : ≥ 55 mg/mL (91.26 mM) ∣H2O : 50 mg/mL (82.96 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C29H31N4NaO5S2
Formula Weight 602.7