Vitas-M small molecule compound
(2E)-3-(5-bromo-2-methoxyphenyl)-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)prop-2-enamide
Catalog ID
STK336456
SMILES COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)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 C26H25BrN4O3S2 MW 585.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN4O3S2/c1-34-22-10-5-19(27)17-18(22)4-11-24(32)29-26(35)28-20-6-8-21(9-7-20)30-12-14-31(15-13-30)25(33)23-3-2-16-36-23/h2-11,16-17H,12-15H2,1H3,(H2,28,29,32,35)/b11-4+InChIKey
LPTQBYFXWOLWLU-NYYWCZLTSA-NSynonyms
(2E)3(5bromo2methoxyphenyl)N((4(4(thiophen2ylcarbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(5bromo2methoxyphenyl)N((4(4(thiophene2carbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4
COc1ccc(cc1C=CC(=O)NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)Br
InChI=1SC26H25BrN4O3S2c1342210519(27)1718(22)41124(32)2926(35)28206821(9720)30121431(151330)25(33)2332163623h2111617H1215H21H3(H228293235)b114+
MFCD06760665
ZINC000097962707
ZINC97962707
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