Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK316004
SMILES Cc1cc(c(s1)NC(=O)/C=C/C(=O)O)C(=O)OCC
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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/c1-3-18-12(17)8-6-7(2)19-11(8)13-9(14)4-5-10(15)16/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)/b5-4+InChIKey
OYBFCDDCSUPWBQ-SNAWJCMRSA-NSynonyms
444908-73-0(2E)4((3(ethoxycarbonyl)5methylthiophen2yl)amino)4oxobut2enoicacid
(E)4((3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
4((3(ETHOXYCARBONYL)5METHYL2THIENYL)AMINO)4OXO2BUTENOICACID
444908730
Cc1cc(c(s1)NC(=O)C=CC(=O)O)C(=O)OCC
CCOC(=O)C1=C(SC(=C1)C)NC(=O)C=CC(=O)O
InChI=1SC12H13NO5Sc131812(17)867(2)1911(8)139(14)4510(15)16h46H3H212H3(H1314)(H1516)b54+
MFCD02176704
ZINC000004892360
ZINC4892360
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