Vitas-M small molecule compound
methyl (4Z)-1-(4-ethoxyphenyl)-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL363872
SMILES CCOc1ccc(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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-4-30-18-10-8-16(9-11-18)23-14(2)20(22(26)29-3)19(21(23)25)13-15-6-5-7-17(12-15)24(27)28/h5-13H,4H2,1-3H3/b19-13-InChIKey
ZRFZDHNHNFFLPU-UYRXBGFRSA-NSynonyms
(E)methyl1(4ethoxyphenyl)2methyl4(3nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
CCOC1=CC=C(C=C1)N2C(=C(C(=CC3=CC(=CC=C3)(N+)(=O)(O))C2=O)C(=O)OC)C
CCOc1ccc(cc1)N1C(=O)C(=Cc2cccc(c2)(N+)(=O)(O))C(=C1C)C(=O)OC
InChI=1SC22H20N2O6c14301810816(91118)2314(2)20(22(26)293)19(21(23)25)131565717(1215)24(27)28h513H4H213H3b1913
METHYL(4Z)1(4ETHOXYPHENYL)2METHYL4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
methyl(4Z)1(4ethoxyphenyl)2methyl4(3nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
MFCD02216829
ZINC000002293008
ZINC02293008
ZINC2293008
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