Vitas-M small molecule compound
5-bromo-2-methoxy-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251943
SMILES COc1ccc(cc1C(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)Br
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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 C20H19BrF3N3O2S MW 502.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrF3N3O2S/c1-29-17-7-5-13(21)11-14(17)18(28)26-19(30)25-15-10-12(20(22,23)24)4-6-16(15)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9H2,1H3,(H2,25,26,28,30)InChIKey
ILUVJWCFAJQGRY-UHFFFAOYSA-NSynonyms
5BROMO2METHOXYN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
5BROMO2METHOXYN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
InChI=1SC20H19BrF3N3O2Sc129177513(21)1114(17)18(28)2619(30)25151012(20(2223)24)4616(15)27823927h471011H2389H21H3(H225262830)
MFCD03649961
ZINC000001838781
ZINC01838781
ZINC1838781
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