Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK336667
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)/C=C/c1ccc(cc1)Cl
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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 C21H19ClF3N3OS MW 453.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N3OS/c22-16-7-3-14(4-8-16)5-10-19(29)27-20(30)26-17-13-15(21(23,24)25)6-9-18(17)28-11-1-2-12-28/h3-10,13H,1-2,11-12H2,(H2,26,27,29,30)/b10-5+InChIKey
YLZQPIRYHUBSBR-BJMVGYQFSA-NSynonyms
(2E)3(4CHLOROPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)PROP2ENAMIDE
(2E)3(4chlorophenyl)N((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)prop2enamide
(E)3(4CHLOROPHENYL)N((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl
InChI=1SC21H19ClF3N3OSc22167314(4816)51019(29)2720(30)26171315(21(2324)25)6918(17)2811121228h31013H121112H2(H226272930)b105+
MFCD05661412
S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)C=Cc1ccc(cc1)Cl
ZINC000004109832
ZINC04109832
ZINC4109832
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