Vitas-M small molecule compound
(2E)-3-(5-bromo-2-methoxyphenyl)-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK344867
SMILES COc1ccc(cc1/C=C/C(=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 C22H21BrF3N3O2S MW 528.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrF3N3O2S/c1-31-19-8-6-16(23)12-14(19)4-9-20(30)28-21(32)27-17-13-15(22(24,25)26)5-7-18(17)29-10-2-3-11-29/h4-9,12-13H,2-3,10-11H2,1H3,(H2,27,28,30,32)/b9-4+InChIKey
KJASNHNLALKUDQ-RUDMXATFSA-NSynonyms
(2E)3(5bromo2methoxyphenyl)N((2(pyrrolidin1yl)5(trifluoromethyl)phenyl)carbamothioyl)prop2enamide
(E)3(5bromo2methoxyphenyl)N((2pyrrolidin1yl5(trifluoromethyl)phenyl)carbamothioyl)prop2enamide
COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
COc1ccc(cc1C=CC(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)Br
InChI=1SC22H21BrF3N3O2Sc131198616(23)1214(19)4920(30)2821(32)27171315(22(2425)26)5718(17)2910231129h491213H231011H21H3(H227283032)b94+
MFCD06759127
ZINC000097962715
ZINC97962715
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