Vitas-M small molecule compound
4-tert-butyl-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251973
SMILES S=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)NC(=O)c1ccc(cc1)C(C)(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 C23H26F3N3OS MW 449.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26F3N3OS/c1-22(2,3)16-8-6-15(7-9-16)20(30)28-21(31)27-18-14-17(23(24,25)26)10-11-19(18)29-12-4-5-13-29/h6-11,14H,4-5,12-13H2,1-3H3,(H2,27,28,30,31)InChIKey
USVVBVPSCLJFMQ-UHFFFAOYSA-NSynonyms
4TERTBUTYLN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
4TERTBUTYLN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
InChI=1SC23H26F3N3OSc122(23)168615(7916)20(30)2821(31)27181417(23(2425)26)101119(18)2912451329h61114H451213H213H3(H227283031)
MFCD03649947
ZINC000002594221
ZINC02594221
ZINC2594221
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