Vitas-M small molecule compound
(2E)-4-{[3,5-bis(ethoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK429659
SMILES CCOC(=O)c1cc(NC(=O)/C=C/C(=O)O)cc(c1)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 C16H17NO7 MW 335.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO7/c1-3-23-15(21)10-7-11(16(22)24-4-2)9-12(8-10)17-13(18)5-6-14(19)20/h5-9H,3-4H2,1-2H3,(H,17,18)(H,19,20)/b6-5+InChIKey
JVQIXMONLOZTIX-AATRIKPKSA-NSynonyms
522619-12-1(2E)3(N(35BIS(ETHOXYCARBONYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)4((35bis(ethoxycarbonyl)phenyl)amino)4oxobut2enoicacid
(E)4(35BIS(ETHOXYCARBONYL)ANILINO)4OXOBUT2ENOICACID
4(35BIS(ETHOXYCARBONYL)ANILINO)4OXO2BUTENOICACID
522619121
CCOC(=O)C1=CC(=CC(=C1)NC(=O)C=CC(=O)O)C(=O)OCC
CCOC(=O)c1cc(NC(=O)C=CC(=O)O)cc(c1)C(=O)OCC
InChI=1SC16H17NO7c132315(21)10711(16(22)2442)912(810)1713(18)5614(19)20h59H34H212H3(H1718)(H1920)b65+
MFCD03465295
ZINC000002800847
ZINC2800847
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