Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK886373
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C1c1ccc(cc1)Cl)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 C27H23ClF3N3O2S MW 546.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClF3N3O2S/c1-26(2)11-20-24(21(35)12-26)23(15-7-9-16(28)10-8-15)17(13-32)25(34-20)37-14-22(36)33-19-6-4-3-5-18(19)27(29,30)31/h3-10,23,34H,11-12,14H2,1-2H3,(H,33,36)InChIKey
BEGWTXNGFKBUGK-UHFFFAOYSA-NSynonyms
799825-70-02((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(2(trifluoromethyl)phenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
799825700
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI=1SC27H23ClF3N3O2Sc126(2)112024(21(35)1226)23(157916(28)10815)17(1332)25(3420)371422(36)3319643518(19)27(2930)31h3102334H111214H212H3(H3336)
MFCD03683155
ZINC000002239067
ZINC000002239070
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