Vitas-M small molecule compound
ethyl (5Z)-5-(2-hydroxy-3-methoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158466
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccc(c2O)OC)/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 C21H18N2O7S MW 442.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S/c1-3-30-21(26)17-19(25)16(11-12-5-4-6-15(29-2)18(12)24)31-20(17)22-13-7-9-14(10-8-13)23(27)28/h4-11,22,24H,3H2,1-2H3/b16-11-InChIKey
YUVLMKMSUQVFJO-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2cccc(c2O)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)O)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((2HYDROXY3METHOXYPHENYL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2HYDROXY3METHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18N2O7Sc133021(26)1719(25)16(111254615(292)18(12)24)3120(17)22137914(10813)23(27)28h4112224H3H212H3b1611
MFCD03711372
ZINC000009721126
ZINC09721126
ZINC9721126
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