Vitas-M small molecule compound
3-bromo-4-ethoxy-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
Catalog ID
STK251962
SMILES CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F
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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 C21H21BrF3N3O2S MW 516.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrF3N3O2S/c1-2-30-18-8-5-13(11-15(18)22)19(29)27-20(31)26-16-12-14(21(23,24)25)6-7-17(16)28-9-3-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,31)InChIKey
BXMIAZGTVKZIOO-UHFFFAOYSA-NSynonyms
(3BROMO4ETHOXYPHENYL)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
3BROMO4ETHOXYN((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
3BROMO4ETHOXYN((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)Br
InChI=1SC21H21BrF3N3O2Sc1230188513(1115(18)22)19(29)2720(31)26161214(21(2324)25)6717(16)289341028h581112H24910H21H3(H226272931)
MFCD03649957
ZINC000001865172
ZINC01865172
ZINC1865172
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