Vitas-M small molecule compound
ethyl (5Z)-5-(3-hydroxybenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158377
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2cccc(c2)O)/C1=O
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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/c1-3-27-21(25)18-19(24)17(12-13-5-4-6-15(23)11-13)28-20(18)22-14-7-9-16(26-2)10-8-14/h4-12,22-23H,3H2,1-2H3/b17-12-InChIKey
TYUXEDOZBNGPBT-ATVHPVEESA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cccc(c2)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)O)C1=O)NC3=CC=C(C=C3)OC
ETHYL(5Z)5((3HYDROXYPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3HYDROXYBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO5Sc132721(25)1819(24)17(121354615(23)1113)2820(18)22147916(262)10814h4122223H3H212H3b1712
MFCD02927833
ZINC000004688344
ZINC04688344
ZINC4688344
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