Vitas-M small molecule compound
(2E)-4-{[3-(methoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL019557
SMILES COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1C)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 C12H13NO5S MW 283.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5S/c1-6-7(2)19-11(10(6)12(17)18-3)13-8(14)4-5-9(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16)/b5-4+InChIKey
DAJSWCOZFAGYFJ-SNAWJCMRSA-NSynonyms
314279-04-4(2E)3(N(3(METHOXYCARBONYL)45DIMETHYL(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((3(methoxycarbonyl)45dimethylthiophen2yl)amino)4oxobut2enoicacid
(E)4((3METHOXYCARBONYL45DIMETHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
314279044
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC(=O)O)C
COC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1C)C
InChI=1SC12H13NO5Sc167(2)1911(10(6)12(17)183)138(14)459(15)16h45H13H3(H1314)(H1516)b54+
MFCD02074186
ZINC000000046753
ZINC46753
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