Vitas-M small molecule compound
2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK887210
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F
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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 C27H18ClF6N3O3S2 MW 646.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClF6N3O3S2/c28-17-8-3-1-6-14(17)21-15(12-35)24(42-13-20(38)36-18-9-4-2-7-16(18)26(29,30)31)37-25(40,27(32,33)34)22(21)23(39)19-10-5-11-41-19/h1-11,21-22,37,40H,13H2,(H,36,38)InChIKey
XBFKGFKBDWLJOF-UHFFFAOYSA-NSynonyms
2((4(2chlorophenyl)3cyano6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridin2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2((4(2chlorophenyl)5cyano2hydroxy3(thiophene2carbonyl)2(trifluoromethyl)34dihydro1Hpyridin6yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
C1=CC=C(C(=C1)C2C(C(NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)(C(F)(F)F)O)C(=O)C4=CC=CS4)Cl
InChI=1SC27H18ClF6N3O3S2c2817831614(17)2115(1235)24(421320(38)3618942716(18)26(2930)31)3725(4027(3233)34)22(21)23(39)19105114119h11121223740H13H2(H3638)
MFCD10088038
ZINC000150662380
ZINC000245257206
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