Vitas-M small molecule compound
2-{[3-cyano-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Catalog ID
STK886269
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(C)C)NC2=C(C1c1ccc(cc1)F)C(=O)CCC2
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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 C27H26FN3O2S MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O2S/c1-16(2)19-6-3-4-7-21(19)30-24(33)15-34-27-20(14-29)25(17-10-12-18(28)13-11-17)26-22(31-27)8-5-9-23(26)32/h3-4,6-7,10-13,16,25,31H,5,8-9,15H2,1-2H3,(H,30,33)InChIKey
YDDHAWCEYXSWMC-UHFFFAOYSA-NSynonyms
2((3cyano4(4fluorophenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(2(propan2yl)phenyl)acetamide
2((3cyano4(4fluorophenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(2propan2ylphenyl)acetamide
CC(C)C1=CC=CC=C1NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)F)C#N
InChI=1SC27H26FN3O2Sc116(2)19634721(19)3024(33)15342720(1429)25(17101218(28)131117)2622(3127)85923(26)32h34671013162531H58915H212H3(H3033)
MFCD03951620
ZINC000003277095
ZINC000013204140
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