Vitas-M small molecule compound
3,4-dimethyl-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251970
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(c(c1)C)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 C21H22F3N3OS MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3OS/c1-13-5-6-15(11-14(13)2)19(28)26-20(29)25-17-12-16(21(22,23)24)7-8-18(17)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,26,28,29)InChIKey
XXQQEZBSQROVDO-UHFFFAOYSA-NSynonyms
(34DIMETHYLPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
34DIMETHYLN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
34DIMETHYLN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C
InChI=1SC21H22F3N3OSc1135615(1114(13)2)19(28)2620(29)25171216(21(2223)24)7818(17)279341027h581112H34910H212H3(H225262829)
MFCD03649945
ZINC000001256281
ZINC01256281
ZINC1256281
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