Vitas-M small molecule compound
(2Z)-4-{[4-ethyl-3-(methoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL020832
SMILES COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc(c1CC)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 C13H15NO5S MW 297.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO5S/c1-4-8-7(2)20-12(11(8)13(18)19-3)14-9(15)5-6-10(16)17/h5-6H,4H2,1-3H3,(H,14,15)(H,16,17)/b6-5-InChIKey
CFWBKTLLYOWGBF-WAYWQWQTSA-NSynonyms
541515-81-5(2Z)3(N(4ETHYL3(METHOXYCARBONYL)5METHYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2Z)4((4ethyl3(methoxycarbonyl)5methylthiophen2yl)amino)4oxobut2enoicacid
(Z)4((4ethyl3methoxycarbonyl5methylthiophen2yl)amino)4oxobut2enoicacid
541515815
CCC1=C(SC(=C1C(=O)OC)NC(=O)C=CC(=O)O)C
COC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1CC)C
InChI=1SC13H15NO5Sc1487(2)2012(11(8)13(18)193)149(15)5610(16)17h56H4H213H3(H1415)(H1617)b65
MFCD02254146
ZINC000101130870
ZINC101130870
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