Vitas-M small molecule compound
(2E)-4-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK451674
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1C)C(=O)N
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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 C13H14N2O6S MW 326.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O6S/c1-3-21-13(20)9-6(2)10(11(14)19)22-12(9)15-7(16)4-5-8(17)18/h4-5H,3H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)/b5-4+InChIKey
ZIGPDMRDUJEEOM-SNAWJCMRSA-NSynonyms
(2E)3(N(5CARBAMOYL3(ETHOXYCARBONYL)4METHYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((5carbamoyl3(ethoxycarbonyl)4methylthiophen2yl)amino)4oxobut2enoicacid
(E)4((5CARBAMOYL3ETHOXYCARBONYL4METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1C)C(=O)N
InChI=1SC13H14N2O6Sc132113(20)96(2)10(11(14)19)2212(9)157(16)458(17)18h45H3H212H3(H21419)(H1516)(H1718)b54+
MFCD02254383
ZINC000002087514
ZINC2087514
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