Vitas-M small molecule compound
(2E)-3-phenyl-N-{[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK251887
SMILES S=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)NC(=O)/C=C/c1ccccc1
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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 C22H22F3N3OS MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3OS/c23-22(24,25)17-10-11-19(28-13-5-2-6-14-28)18(15-17)26-21(30)27-20(29)12-9-16-7-3-1-4-8-16/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,26,27,29,30)/b12-9+InChIKey
ACSVJVQDVKWOOC-FMIVXFBMSA-NSynonyms
(2E)3PHENYLN(((2PIPERIDYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)PROP2ENAMIDE
(2E)3PHENYLN((2(PIPERIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3PHENYLN((2PIPERIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C=CC3=CC=CC=C3
InChI=1SC22H22F3N3OSc2322(2425)17101119(28135261428)18(1517)2621(30)2720(29)129167314816h13471215H2561314H2(H226272930)b129+
MFCD03650072
S=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)NC(=O)C=Cc1ccccc1
ZINC000001851641
ZINC01851641
ZINC1851641
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