Vitas-M small molecule compound
N-(4-chlorophenyl)-5-cyano-4-(2-fluorophenyl)-2-methyl-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887219
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=C(C1c1ccccc1F)C(=O)Nc1ccc(cc1)Cl)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 C29H21ClF4N4O2S MW 601.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClF4N4O2S/c1-16-25(27(40)37-18-12-10-17(30)11-13-18)26(19-6-2-4-8-22(19)31)20(14-35)28(36-16)41-15-24(39)38-23-9-5-3-7-21(23)29(32,33)34/h2-13,26,36H,15H2,1H3,(H,37,40)(H,38,39)InChIKey
KZEDRZJCPQPVBA-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(F)(F)F)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC29H21ClF4N4O2Sc11625(27(40)3718121017(30)111318)26(19624822(19)31)20(1435)28(3616)411524(39)3823953721(23)29(3233)34h2132636H15H21H3(H3740)(H3839)
MFCD10088052
N(4chlorophenyl)5cyano4(2fluorophenyl)2methyl6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxamide
N(4chlorophenyl)5cyano4(2fluorophenyl)2methyl6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl14dihydropyridine3carboxamide
ZINC000102809838
ZINC000102809840
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