Vitas-M small molecule compound
ethyl (4Z)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL296452
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccccc1
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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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-3-28-21(25)19-14(2)22(16-7-5-4-6-8-16)20(24)18(19)13-15-9-11-17(12-10-15)23(26)27/h4-13H,3H2,1-2H3/b18-13-InChIKey
DGQBUKNIQCGSFH-AQTBWJFISA-NSynonyms
(Z)ethyl2methyl4(4nitrobenzylidene)5oxo1phenyl45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccccc1
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3)C
ETHYL(4Z)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXO1PHENYLPYRROLE3CARBOXYLATE
ethyl(4Z)2methyl4(4nitrobenzylidene)5oxo1phenyl45dihydro1Hpyrrole3carboxylate
InChI=1SC21H18N2O5c132821(25)1914(2)22(167546816)20(24)18(19)131591117(121015)23(26)27h413H3H212H3b1813
MFCD00685880
ZINC000013562477
ZINC13562477
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