Vitas-M small molecule compound
ethyl (4Z)-1-(4-ethoxyphenyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK698688
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OCC
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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 C23H22N2O6 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6/c1-4-30-19-12-10-17(11-13-19)24-15(3)21(23(27)31-5-2)20(22(24)26)14-16-6-8-18(9-7-16)25(28)29/h6-14H,4-5H2,1-3H3/b20-14-InChIKey
JYAIHGSAYPJNDG-ZHZULCJRSA-NSynonyms
(Z)ethyl1(4ethoxyphenyl)2methyl4(4nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
1(4ETHOXYPHENYL)2METHYL5OXO4(4NITROBENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)OCC
CCOC1=CC=C(C=C1)N2C(=C(C(=CC3=CC=C(C=C3)(N+)(=O)(O))C2=O)C(=O)OCC)C
ETHYL(4Z)1(4ETHOXYPHENYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1(4ETHOXYPHENYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC23H22N2O6c143019121017(111319)2415(3)21(23(27)3152)20(22(24)26)14166818(9716)25(28)29h614H45H213H3b2014
MFCD00685886
ZINC000000825684
ZINC00825684
ZINC825684
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