Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK870665
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H26FN3O3S MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S/c1-27(2)12-21-25(22(32)13-27)24(16-4-10-19(34-3)11-5-16)20(14-29)26(31-21)35-15-23(33)30-18-8-6-17(28)7-9-18/h4-11,24,31H,12-13,15H2,1-3H3,(H,30,33)InChIKey
FMCDLYKJROJGOC-UHFFFAOYSA-NSynonyms
370852-97-42((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(4fluorophenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4fluorophenyl)acetamide
370852974
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC27H26FN3O3Sc127(2)122125(22(32)1327)24(1641019(343)11516)20(1429)26(3121)351523(33)30188617(28)7918h4112431H121315H213H3(H3033)
MFCD02943052
ZINC000000715911
ZINC000000715913
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