Vitas-M small molecule compound
(2E)-3-phenyl-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK251935
SMILES O=C(NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)/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 C21H20F3N3OS MW 419.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3OS/c22-21(23,24)16-9-10-18(27-12-4-5-13-27)17(14-16)25-20(29)26-19(28)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,25,26,28,29)/b11-8+InChIKey
ZBUIFYHBCHONDU-DHZHZOJOSA-NSynonyms
(2E)3PHENYLN(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)PROP2ENAMIDE
(2E)3PHENYLN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3PHENYLN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C=CC3=CC=CC=C3
InChI=1SC21H20F3N3OSc2221(2324)1691018(2712451327)17(1416)2520(29)2619(28)118156213715h1361114H451213H2(H225262829)b118+
MFCD03649974
O=C(NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)C=Cc1ccccc1
ZINC000001265606
ZINC01265606
ZINC1265606
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