Vitas-M small molecule compound
ethyl (5E)-5-(4-hydroxy-3-methoxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158365
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C/c2ccc(c(c2)OC)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 C21H18N2O7S MW 442.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S/c1-3-30-21(26)18-19(25)17(11-12-4-9-15(24)16(10-12)29-2)31-20(18)22-13-5-7-14(8-6-13)23(27)28/h4-11,22,24H,3H2,1-2H3/b17-11+InChIKey
KLWPAZFMZNRXKA-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(c(c2)OC)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)OC)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ethyl(5E)5((4hydroxy3methoxyphenyl)methylidene)2(4nitroanilino)4oxothiophene3carboxylate
ETHYL(5E)5(4HYDROXY3METHOXYBENZYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18N2O7Sc133021(26)1819(25)17(11124915(24)16(1012)292)3120(18)22135714(8613)23(27)28h4112224H3H212H3b1711+
MFCD08673526
ZINC000100209159
ZINC100209159
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