Vitas-M small molecule compound
ethyl (5Z)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378677
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(o2)c2ccc(cc2C)[N+](=O)[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 C25H20N2O6S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6S/c1-3-32-25(29)22-23(28)21(34-24(22)26-16-7-5-4-6-8-16)14-18-10-12-20(33-18)19-11-9-17(27(30)31)13-15(19)2/h4-14,26H,3H2,1-2H3/b21-14-InChIKey
NVZIOXLLNNUYII-STZFKDTASA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(o2)c2ccc(cc2C)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))C)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5(2methyl4nitrophenyl)furan2yl)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC25H20N2O6Sc133225(29)2223(28)21(3424(22)26167546816)1418101220(3318)1911917(27(30)31)1315(19)2h41426H3H212H3b2114
MFCD03711255
ZINC000006173528
ZINC06173528
ZINC6173528
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