Vitas-M small molecule compound
(2E)-4-{[4-(4-chlorophenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL503911
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)Cl)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 C18H16ClNO5S MW 393.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO5S/c1-3-25-18(24)16-15(11-4-6-12(19)7-5-11)10(2)26-17(16)20-13(21)8-9-14(22)23/h4-9H,3H2,1-2H3,(H,20,21)(H,22,23)/b9-8+InChIKey
QNKWEGQIGLNNOJ-CMDGGOBGSA-NSynonyms
(~(E))4((4(4chlorophenyl)3ethoxycarbonyl5methylthiophen2yl)amino)4oxobut2enoicacid
(2E)3(N(4(4CHLOROPHENYL)3(ETHOXYCARBONYL)5METHYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(4chlorophenyl)3(ethoxycarbonyl)5methylthiophen2yl)amino)4oxobut2enoicacid
(E)4((4(4CHLOROPHENYL)3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
1002870
4((4(4CHLOROPHENYL)3(ETHOXYCARBONYL)5METHYL2THIENYL)AMINO)4OXO2BUTENOICACID
InChI=1SC18H16ClNO5Sc132518(24)1615(114612(19)7511)10(2)2617(16)2013(21)8914(22)23h49H3H212H3(H2021)(H2223)b98+
MFCD02176982
ZINC000002767964
ZINC2767964
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