Vitas-M small molecule compound
ethyl (5Z)-5-(5-bromo-2-hydroxybenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371542
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)S/C(=C\c2cc(Br)ccc2O)/C1=O
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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 C22H18BrNO5S MW 488.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO5S/c1-3-29-22(28)18-19(26)17(11-14-10-15(23)8-9-16(14)25)30-21(18)24-20(27)13-6-4-12(2)5-7-13/h4-11,25H,3H2,1-2H3,(H,24,27)/b17-11-InChIKey
DFAHSKJYZSRLEC-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C)SC(=Cc2cc(Br)ccc2O)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)Br)O)C1=O)NC(=O)C3=CC=C(C=C3)C
ETHYL(5Z)5((5BROMO2HYDROXYPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(5bromo2hydroxybenzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC22H18BrNO5Sc132922(28)1819(26)17(11141015(23)8916(14)25)3021(18)2420(27)136412(2)5713h41125H3H212H3(H2427)b1711
MFCD03712429
ZINC000006227900
ZINC06227900
ZINC6227900
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