Vitas-M small molecule compound
methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161441
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=C1C)C(=O)OC
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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 C23H20N2O7 MW 436.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O7/c1-4-32-22(27)16-8-10-17(11-9-16)24-14(2)20(23(28)31-3)19(21(24)26)13-15-6-5-7-18(12-15)25(29)30/h5-13H,4H2,1-3H3/b19-13-InChIKey
WGUZNLLBKTWZPU-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC(=CC=C3)(N+)(=O)(O))C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2cccc(c2)(N+)(=O)(O))C(=C1C)C(=O)OC
ETHYL4(4(METHOXYCARBONYL)5METHYL3((3NITROPHENYL)METHYLENE)2OXOAZOLINYL)BENZOATE
InChI=1SC23H20N2O7c143222(27)1681017(11916)2414(2)20(23(28)313)19(21(24)26)131565718(1215)25(29)30h513H4H213H3b1913
METHYL(4Z)1(4(ETHOXYCARBONYL)PHENYL)2METHYL4(3NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(4ETHOXYCARBONYLPHENYL)2METHYL4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
MFCD03252401
ZINC000001163531
ZINC01163531
ZINC1163531
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