Organoheterocyclic compounds
N-(alpha,alpha,alpha-Trifluoro-p-tolyl)piperazine, 98%
CAS: 30459-17-7 Molecular Formula: C11H13F3N3 Molecular Weight (g/mol): 230.23 MDL Number: MFCD00040765 InChI Key: IBQMAPSJLHRQPE-UHFFFAOYSA-N Synonym: 1-4-trifluoromethylphenyl piperazine,1-4-trifluoromethyl phenyl piperazine,piperazine, 1-4-trifluoromethyl phenyl,1-4-trifluoromethylphenyl-piperazine,1-4-trifluoromethyl-phenyl-piperazine,n-4-trifluoromethylphenyl piperazine,4-trifluoromethyl phenyl piperazine,zlchem 639,acmc-209hfy PubChem CID: 121718 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]piperazine SMILES: C1CN(CCN1)C2=CC=C(C=C2)C(F)(F)F
alpha-Naphthoflavone, 97%
CAS: 604-59-1 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.303 MDL Number: MFCD00004985 InChI Key: VFMMPHCGEFXGIP-UHFFFAOYSA-N Synonym: alpha-naphthoflavone,7,8-benzoflavone,2-phenyl-4h-benzo h chromen-4-one,alpha-naphthylflavone,2-phenylbenzo h chromen-4-one,benzo h flavone,4h-naphtho 1,2-b pyran-4-one, 2-phenyl,.alpha.-naphthoflavone,2-phenyl-benzo h chromen-4-one,2-phenyl-4h-naphtho 1,2-b pyran-4-one PubChem CID: 11790 ChEBI: CHEBI:76995 IUPAC Name: 2-phenylbenzo[h]chromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
alpha-Naphthoflavone, 97%
CAS: 604-59-1 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.29 MDL Number: MFCD00004985 InChI Key: VFMMPHCGEFXGIP-UHFFFAOYSA-N Synonym: alpha-naphthoflavone,7,8-benzoflavone,2-phenyl-4h-benzo h chromen-4-one,alpha-naphthylflavone,2-phenylbenzo h chromen-4-one,benzo h flavone,4h-naphtho 1,2-b pyran-4-one, 2-phenyl,.alpha.-naphthoflavone,2-phenyl-benzo h chromen-4-one,2-phenyl-4h-naphtho 1,2-b pyran-4-one PubChem CID: 11790 ChEBI: CHEBI:76995 IUPAC Name: 2-phenylbenzo[h]chromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
alpha-Acetyl-gamma-butyrolactone, 98+%
CAS: 517-23-7 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00005394 InChI Key: OMQHDIHZSDEIFH-UHFFFAOYNA-N Synonym: 2-acetylbutyrolactone,3-acetyldihydrofuran-2 3h-one,alpha-acetylbutyrolactone,alpha-acetyl-gamma-butyrolactone,3-acetyldihydro-2 3h-furanone,2 3h-furanone, 3-acetyldihydro,3-acetyltetrahydrofuran-2-one,2-oxo-3-acetyltetrahydrofuran,3-acetyltetrahydro-2-furanone,3-acetyl-2 3h-4,5-dihydrofuranone PubChem CID: 10601 IUPAC Name: 3-acetyloxolan-2-one SMILES: CC(=O)C1CCOC1=O
alpha-Bromo-gamma-butyrolactone, 97%
CAS: 5061-21-2 Molecular Formula: C4H5BrO2 Molecular Weight (g/mol): 164.99 MDL Number: MFCD00005387 InChI Key: LFJJGHGXHXXDFT-UHFFFAOYNA-N Synonym: 2-bromo-4-butanolide,alpha-bromo-gamma-butyrolactone,2-bromobutyrolactone,3-bromodihydrofuran-2 3h-one,2 3h-furanone, 3-bromodihydro,3-bromo-2-furanone,bromobutyrolactone,2 3h-furanone, bromodihydro,.alpha.-bromo-.gamma.-butyrolactone,.alpha.-bromobutyrolactone PubChem CID: 95463 IUPAC Name: 3-bromooxolan-2-one SMILES: BrC1CCOC1=O
α,α-Dipyridyl, 99.5%, MP Biomedicals™
CAS: 366-18-7 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00006212 InChI Key: ROFVEXUMMXZLPA-UHFFFAOYSA-N Synonym: 2,2'-bipyridine,2,2'-dipyridyl,2,2'-bipyridyl,bipyridine,2,2'-dipyridine,2-2-pyridyl pyridine,2,2'-bipyridin,alpha,alpha'-dipyridyl,alpha,alpha'-bipyridyl,2,2-bipyridyl PubChem CID: 1474 ChEBI: CHEBI:30351 IUPAC Name: 2,2'-bipyridine SMILES: C1=CC=C(N=C1)C1=CC=CC=N1
Methyl 4,6-O-benzylidene-alpha-D-glucopyranoside, 97%
CAS: 3162-96-7 Molecular Formula: C14H18O6 Molecular Weight (g/mol): 282.292 MDL Number: MFCD00006819 InChI Key: VVSWDMJYIDBTMV-BTZLDLHRSA-N Synonym: 4ar,6s,7r,8r,8as-6-methoxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidene-alpha-d-glucopyranoside,methyl 4,6-o-benzylidene-a-d-glucopyranoside,4ar,6s,7r,8r,8as-6-methoxy-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxine-7,8-diol,methyl 4,6-o-benzylidenehexopyranoside #,zlchem 511,methyl 4,6-o-benzylidene-,a-d-glucopyranoside,methyl 4,6-o-phenylmethylene-,glucopyranoside, methyl 4,6-o-benzylidene-, .alpha.-d,.alpha.-d-glucopyranoside, methyl 4,6-o-phenylmethylene PubChem CID: 11822086 IUPAC Name: (4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)O
alpha-Methylene-gamma-butyrolactone, 95%, stabilized, Thermo Scientific Chemicals
CAS: 547-65-9 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00005407 InChI Key: GSLDEZOOOSBFGP-UHFFFAOYSA-N Synonym: 2-methylenebutyrolactone,alpha-methylene-gamma-butyrolactone,3-methylenedihydro-2 3h-furanone,tulipalin a,tulipane,2 3h-furanone, dihydro-3-methylene,dihydro-3-methylene-2 3h-furanone,alpha-methylene butyrolactone,3-methylenedihydrofuran-2 3h-one,alpha-methylene gamma-butyrolactone PubChem CID: 68352 ChEBI: CHEBI:104120 IUPAC Name: 3-methylideneoxolan-2-one SMILES: C=C1CCOC1=O
Thermo Scientific Chemicals 2,3:4,6-Di-O-isopropylidene-alpha-L-sorbofuranose, 98%
CAS: 14131-84-1 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00134206 InChI Key: JWWCLCNPTZHVLF-WVHJSVDISA-N Synonym: 2,3:5,6-bis-o-1-methylethylidene-,a-d-mannofuranose,3ar,4s,6r-6-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-ol PubChem CID: 45039045 IUPAC Name: (3aR,4S,6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol SMILES: CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C
Thermo Scientific Chemicals 1,3,5-Tri-O-benzoyl-2-deoxy-2-fluoro-alpha-D-arabinofuranose
CAS: 97614-43-2 Molecular Formula: C26H21FO7 Molecular Weight (g/mol): 464.445 MDL Number: MFCD00083339 InChI Key: JOAHVPNLVYCSAN-UXGLMHHASA-N Synonym: 2-deoxy-2-fluoro-1,3,5-tri-o-benzoyl-alpha-d-arabinofuranose,2r,3s,4r,5r-5-benzoyloxy methyl-3-fluorotetrahydrofuran-2,4-diyl dibenzoate,2-deoxy-2-fluoro-1,3,5-tri-o-benzoyl-,a-d-arabinofuranose,1,3,5-tri-o-benzoyl-2-deoxy-2-fluoro-a-d-arabinofuranose,2r,3r,4s,5r-3,5-bis benzoyloxy-4-fluorooxolan-2-yl methyl benzoate,2r,3s,4r,5r-5-benzoyloxymethyl-3-fluoro-tetrahydrofuran-2,4-diyl dibenzoate,1,3,5-tri-o-benzoyl-2-deoxy-2-fluoro-md-arabinose,2-deoxy-2-fluoro-1,3,5-tri-o-benzoyl-d-ribofuranose,pubchem20401,2-deoxy-2-fluoro-1,3,5-tri-o-benzoyl-alpha-d-ribofuranose PubChem CID: 11754171 IUPAC Name: [(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)OC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4
2,3:4,6-Di-O-isopropylidene-alpha-L-sorbofuranose, 98%, Thermo Scientific Chemicals
CAS: 17682-70-1 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00132929 InChI Key: GQXSDDHYUVYJCQ-HNBLOZHYSA-N PubChem CID: 92220487 IUPAC Name: [(3aS,4aR,8aR,8bR)-2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-[1,3]dioxolo[3,4]furo[1,3-d][1,3]dioxin-3a-yl]methanol SMILES: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C
1,2:5,6-Di-O-isopropylidene-alpha-D-allo-furanose, 98%, Thermo Scientific Chemicals
CAS: 2595-05-3 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.28 MDL Number: MFCD00135634 InChI Key: KEJGAYKWRDILTF-VVULQXIFSA-N Synonym: 1,2:5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyltetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2,5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-4r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2:5,6-bis-o-1-methylethylidene,5,6-di-o-isopropylidene-alpha-d-allofuranose,1,2:5,6-di-o-isopropylidene-?-d-allofuranose,1,2:5,6-di-o-isopropylidene-alpha-d-ribo-hexofuranose,1-o,2-o:5-o,6-o-diisopropylidene-alpha-d-allofuranose PubChem CID: 7157054 IUPAC Name: (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol SMILES: CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C
20(alpha)-Dihydro Pregnenolone, TRC
CAS: 901-56-4 Molecular Formula: C21 H34 O2 Molecular Weight (g/mol): 318.49 Synonym: Pregn-5-ene-3,20-diol, (3β,20S)-,Pregn-5-ene-3β,20α-diol (7CI,8CI),Pregnenediol (6CI),(3β,20S)-Pregn-5-ene-3,20-diol,20α-Dihydropregnenolone,20α-Dihydro pregnenolone,20α-Hydroxypregnenolone,3β,20α-Dihydroxypregn-5-ene,δ5-Pregnene-3β,20α-diol,δ5-Pregnenediol IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Alpha-Hydroxy Olopatadine Hydrochloride, TRC
CAS: 1331668-21-3 Molecular Formula: C21 H23 N O4 . Cl H Molecular Weight (g/mol): 389.87 Synonym: 11-[3-(Dimethylamino)propylidene]-6,11-dihydro-α-hydroxydibenz[b,e]oxepin-2-acetic Acid Hydrochloride (1:1) IUPAC Name: 2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-2-hydroxyacetic acid;hydrochloride SMILES: Cl.CN(C)CCC=C1c2ccccc2COc3ccc(cc13)C(O)C(=O)O