Vitas-M small molecule compound
ethyl (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378687
SMILES CCOC(=O)C1=C(S/C(=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)/C1=O)NC(=O)c1ccc(cc1)C
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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 C24H22N2O8S MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O8S/c1-5-34-24(29)20-21(27)19(35-23(20)25-22(28)14-8-6-13(2)7-9-14)11-15-10-17(32-3)18(33-4)12-16(15)26(30)31/h6-12H,5H2,1-4H3,(H,25,28)/b19-11-InChIKey
FRKJPPXWAQZXAY-ODLFYWEKSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2(N+)(=O)(O))OC)OC)C1=O)NC(=O)C3=CC=C(C=C3)C
CCOC(=O)C1=C(SC(=Cc2cc(OC)c(cc2(N+)(=O)(O))OC)C1=O)NC(=O)c1ccc(cc1)C
ETHYL(5Z)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(45dimethoxy2nitrobenzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC24H22N2O8Sc153424(29)2021(27)19(3523(20)2522(28)148613(2)7914)11151017(323)18(334)1216(15)26(30)31h612H5H214H3(H2528)b1911
MFCD03711109
ZINC000006227898
ZINC06227898
ZINC6227898
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