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-(3-methoxyphenyl)acetamide
Catalog ID
STK827539
SMILES COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1)c1ccccc1Cl
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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 C27H21ClF3N3O4S2 MW 608.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClF3N3O4S2/c1-38-16-7-4-6-15(12-16)33-21(35)14-40-25-18(13-32)22(17-8-2-3-9-19(17)28)23(24(36)20-10-5-11-39-20)26(37,34-25)27(29,30)31/h2-12,22-23,34,37H,14H2,1H3,(H,33,35)InChIKey
PBXUZQLZGBJTIX-UHFFFAOYSA-NSynonyms
2((4(2chlorophenyl)3cyano6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((4(2chlorophenyl)5cyano2hydroxy3(thiophene2carbonyl)2(trifluoromethyl)34dihydro1Hpyridin6yl)sulfanyl)N(3methoxyphenyl)acetamide
COC1=CC=CC(=C1)NC(=O)CSC2=C(C(C(C(N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N
InChI=1SC27H21ClF3N3O4S2c1381674615(1216)3321(35)14402518(1332)22(17823919(17)28)23(24(36)20105113920)26(373425)27(2930)31h21222233437H14H21H3(H3335)
MFCD03827576
ZINC000033353854
ZINC000100820292
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