Vitas-M small molecule compound
ethyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160087
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(c(c1)C)C
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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 C23H22N2O5 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5/c1-5-30-23(27)21-16(4)24(19-9-6-14(2)15(3)12-19)22(26)20(21)13-17-7-10-18(11-8-17)25(28)29/h6-13H,5H2,1-4H3/b20-13-InChIKey
ZKLIGIUNYAWKTI-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(c(c1)C)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=C(C=C3)C)C)C
ETHYL(4Z)1(34DIMETHYLPHENYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1(34DIMETHYLPHENYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC23H22N2O5c153023(27)2116(4)24(199614(2)15(3)1219)22(26)20(21)131771018(11817)25(28)29h613H5H214H3b2013
MFCD08671151
ZINC000014009153
ZINC14009153
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