Vitas-M small molecule compound
methyl (5E)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158446
SMILES CCOc1cc(ccc1O)/C=C\1/SC(=C(C1=O)C(=O)OC)Nc1ccccc1
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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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-3-27-16-11-13(9-10-15(16)23)12-17-19(24)18(21(25)26-2)20(28-17)22-14-7-5-4-6-8-14/h4-12,22-23H,3H2,1-2H3/b17-12+InChIKey
ROLUZCKYOMZRGU-SFQUDFHCSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC)O
CCOc1cc(ccc1O)C=C1SC(=C(C1=O)C(=O)OC)Nc1ccccc1
InChI=1SC21H19NO5Sc1327161113(91015(16)23)121719(24)18(21(25)262)20(2817)22147546814h4122223H3H212H3b1712+
METHYL(5E)2ANILINO5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(3ETHOXY4HYDROXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679409
ZINC000001138587
ZINC01138587
ZINC1138587
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