Vitas-M small molecule compound
ethyl (5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158379
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(o2)C)/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 C19H16N2O6S MW 400.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O6S/c1-3-26-19(23)16-17(22)15(10-14-9-4-11(2)27-14)28-18(16)20-12-5-7-13(8-6-12)21(24)25/h4-10,20H,3H2,1-2H3/b15-10-InChIKey
LBACOBUYRZMVBD-GDNBJRDFSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(o2)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)5((5METHYLFURAN2YL)METHYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((5METHYLFURAN2YL)METHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC19H16N2O6Sc132619(23)1617(22)15(10149411(2)2714)2818(16)20125713(8612)21(24)25h41020H3H212H3b1510
MFCD02222376
ZINC000004688345
ZINC04688345
ZINC4688345
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