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Imidazoles

Aromatic organic heterocyclic compounds that consist of a diazole with non-adjacent nitrogen atoms with the formula: C3N2H4.
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1

4,5-Imidazoledicarboxylic acid, 97%

CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O

PubChem CID 68442
CAS 570-22-9
Molecular Weight (g/mol) 156.10
MDL Number MFCD00005200
SMILES OC(=O)C1=C(N=CN1)C(O)=O
Synonym 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
IUPAC Name 1H-imidazole-4,5-dicarboxylic acid
InChI Key ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
2

4,5-Imidazoledicarboxylic acid, 99%, Thermo Scientific Chemicals

CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O

PubChem CID 68442
CAS 570-22-9
Molecular Weight (g/mol) 156.10
MDL Number MFCD00005200
SMILES OC(=O)C1=C(N=CN1)C(O)=O
Synonym 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
IUPAC Name 1H-imidazole-4,5-dicarboxylic acid
InChI Key ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
3

Hydroxy Ipronidazole, TRC

CAS: 35175-14-5 Molecular Formula: C7 H11 N3 O3 Molecular Weight (g/mol): 185.18 Synonym: α,α,1-Trimethyl-5-nitro-1H-imidazole-2-methanol,1,α,α-Trimethyl-5-nitroimidiazole-2-methanol,1-Methyl-2-(2'-hydroxyisopropyl)-5-nitroimidazole,2-(1-Hydroxy-1-methylethyl)-1-methyl-5-nitroimidazole,Hydroxyipronidazole,Ipronidazole-OH,L 12407,Ipronidazole-hydroxy IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol SMILES: Cn1c(cnc1C(C)(C)O)[N+](=O)[O-]

CAS 35175-14-5
Molecular Weight (g/mol) 185.18
SMILES Cn1c(cnc1C(C)(C)O)[N+](=O)[O-]
Synonym α,α,1-Trimethyl-5-nitro-1H-imidazole-2-methanol,1,α,α-Trimethyl-5-nitroimidiazole-2-methanol,1-Methyl-2-(2'-hydroxyisopropyl)-5-nitroimidazole,2-(1-Hydroxy-1-methylethyl)-1-methyl-5-nitroimidazole,Hydroxyipronidazole,Ipronidazole-OH,L 12407,Ipronidazole-hydroxy
IUPAC Name 2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol
Molecular Formula C7 H11 N3 O3
4

Etomidate, TRC

CAS: 33125-97-2 Molecular Formula: C14 H16 N2 O2 Molecular Weight (g/mol): 244.29 Synonym: 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester,1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-,Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-,(+)-Etomidate,Amidate,Amidate (pharmaceutical),D-Etomidate,Etomidate,Hypnomidate,Lipuro,Propiscin,R 16659,Radenarcon,d-Etomidate IUPAC Name: ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate SMILES: CCOC(=O)c1cncn1[C@H](C)c2ccccc2

CAS 33125-97-2
Molecular Weight (g/mol) 244.29
SMILES CCOC(=O)c1cncn1[C@H](C)c2ccccc2
Synonym 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester,1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-,Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (R)-(+)-,(+)-Etomidate,Amidate,Amidate (pharmaceutical),D-Etomidate,Etomidate,Hypnomidate,Lipuro,Propiscin,R 16659,Radenarcon,d-Etomidate
IUPAC Name ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
Molecular Formula C14 H16 N2 O2
5

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
6

Pifithrin-β hydrobromide, MedChemExpress

MedChemExpress Pifithrin-β hydrobromide (PFT β hydrobromide) is a potent p53 inhibitor with an IC50 of 23 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 349.29
Color White
Physical Form Solid
Chemical Name or Material Pifithrin-β hydrobromide
Grade Research
SMILES CC1=CC=C(C2=CN3C(SC4=C3CCCC4)=N2)C=C1.Br
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.97%
CAS 511296-88-1
Solubility Information DMSO : 10 mg/mL (28.63 mM; Need ultrasonic)
Synonym PFT β hydrobromideCyclic Pifithrin-α hydrobromide
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 C16H17BrN2S
Formula Weight 349.29
8

Alfa Aesar™ 4-Methyl-2-phenylimidazole, 95%, Thermo Scientific™

CAS: 827-43-0 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00047015 InChI Key: TYOXIFXYEIILLY-UHFFFAOYSA-N PubChem CID: 70012 IUPAC Name: 5-methyl-2-phenyl-1H-imidazole SMILES: CC1=CN=C(N1)C1=CC=CC=C1

PubChem CID 70012
CAS 827-43-0
Molecular Weight (g/mol) 158.20
MDL Number MFCD00047015
SMILES CC1=CN=C(N1)C1=CC=CC=C1
IUPAC Name 5-methyl-2-phenyl-1H-imidazole
InChI Key TYOXIFXYEIILLY-UHFFFAOYSA-N
Molecular Formula C10H10N2
9

Alfa Aesar™ 2-Methyl-5-nitroimidazole, 99%

CAS: 88054-22-2 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00005191 InChI Key: FFYTTYVSDVWNMY-UHFFFAOYSA-N Synonym: 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro PubChem CID: 12760 IUPAC Name: 2-methyl-5-nitro-1H-imidazole SMILES: CC1=NC=C(N1)[N+]([O-])=O

PubChem CID 12760
CAS 88054-22-2
Molecular Weight (g/mol) 127.10
MDL Number MFCD00005191
SMILES CC1=NC=C(N1)[N+]([O-])=O
Synonym 2-methyl-5-nitroimidazole,2-methyl-4-nitroimidazole,2-methyl-4-nitro-1h-imidazole,menidazole,1h-imidazole, 2-methyl-4-nitro,1h-imidazole, 2-methyl-5-nitro,2-methyl-4 5-nitroimidazole,imidazole, 2-methyl-4-nitro,unii-24ag2ww15w,imidazole, 2-methyl-5-nitro
IUPAC Name 2-methyl-5-nitro-1H-imidazole
InChI Key FFYTTYVSDVWNMY-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
10

2-(4-Cyanophenyl)benzimidazole-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 175401-95-3 Molecular Formula: C15H9N3O2 Molecular Weight (g/mol): 263.256 MDL Number: MFCD20265213 InChI Key: HRUUSKALOILBKF-UHFFFAOYSA-N Synonym: 2-4-cyanophenyl benzimidazole-6-carboxylic acid,2-4-cyanophenyl benzimidazole-5-carboxylic acid,2-4-cyanophenyl-3h-1,3-benzodiazole-5-carboxylic acid,2-4-cyanophenyl-1h-benzimidazole-6-carboxylic acid,1h-benzimidazole-6-carboxylicacid, 2-4-cyanophenyl,2-4-cyanophenyl-1h-benzoimidazole-5-carboxylic acid,2-4-cyanophenyl-1h-benzo d imidazole-6-carboxylic acid,2-4-cyanophenyl-1h-benzimidazole-5-carboxylic acid,2-4-cyanophenyl-1h-1,3-benzodiazole-5-carboxylic acid PubChem CID: 23509758 IUPAC Name: 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid SMILES: C1=CC(=CC=C1C#N)C2=NC3=C(N2)C=C(C=C3)C(=O)O

PubChem CID 23509758
CAS 175401-95-3
Molecular Weight (g/mol) 263.256
MDL Number MFCD20265213
SMILES C1=CC(=CC=C1C#N)C2=NC3=C(N2)C=C(C=C3)C(=O)O
Synonym 2-4-cyanophenyl benzimidazole-6-carboxylic acid,2-4-cyanophenyl benzimidazole-5-carboxylic acid,2-4-cyanophenyl-3h-1,3-benzodiazole-5-carboxylic acid,2-4-cyanophenyl-1h-benzimidazole-6-carboxylic acid,1h-benzimidazole-6-carboxylicacid, 2-4-cyanophenyl,2-4-cyanophenyl-1h-benzoimidazole-5-carboxylic acid,2-4-cyanophenyl-1h-benzo d imidazole-6-carboxylic acid,2-4-cyanophenyl-1h-benzimidazole-5-carboxylic acid,2-4-cyanophenyl-1h-1,3-benzodiazole-5-carboxylic acid
IUPAC Name 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
InChI Key HRUUSKALOILBKF-UHFFFAOYSA-N
Molecular Formula C15H9N3O2