Vitas-M small molecule compound
N-benzyl-2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Catalog ID
STK887209
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)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 C27H21ClF3N3O3S2 MW 592.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClF3N3O3S2/c28-19-10-5-4-9-17(19)22-18(13-32)25(39-15-21(35)33-14-16-7-2-1-3-8-16)34-26(37,27(29,30)31)23(22)24(36)20-11-6-12-38-20/h1-12,22-23,34,37H,14-15H2,(H,33,35)InChIKey
GLMGARYNSYHAJX-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)CNC(=O)CSC2=C(C(C(C(N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N
InChI=1SC27H21ClF3N3O3S2c28191054917(19)2218(1332)25(391521(35)3314167213816)3426(3727(2930)31)23(22)24(36)20116123820h11222233437H1415H2(H3335)
MFCD03827574
Nbenzyl2((4(2chlorophenyl)3cyano6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridin2yl)sulfanyl)acetamide
Nbenzyl2((4(2chlorophenyl)5cyano2hydroxy3(thiophene2carbonyl)2(trifluoromethyl)34dihydro1Hpyridin6yl)sulfanyl)acetamide
ZINC000033353838
ZINC000245295512
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