Vitas-M small molecule compound
methyl (4Z)-1-benzyl-4-(4-methoxy-3-nitrobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK804848
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])OC)Cc1ccccc1
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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/c1-14-20(22(26)30-3)17(21(25)23(14)13-15-7-5-4-6-8-15)11-16-9-10-19(29-2)18(12-16)24(27)28/h4-12H,13H2,1-3H3/b17-11-InChIKey
SZRLZZCSDZKFTF-BOPFTXTBSA-NSynonyms
(Z)methyl1benzyl4(4methoxy3nitrobenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC(=C(C=C2)OC)(N+)(=O)(O))C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(c(c1)(N+)(=O)(O))OC)Cc1ccccc1
InChI=1SC22H20N2O6c11420(22(26)303)17(21(25)23(14)13157546815)111691019(292)18(1216)24(27)28h412H13H213H3b1711
METHYL(4Z)1BENZYL4((4METHOXY3NITROPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)1benzyl4(4methoxy3nitrobenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
MFCD01893942
ZINC000001199005
ZINC01199005
ZINC1199005
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