Vitas-M small molecule compound
methyl (4Z)-1-benzyl-2-methyl-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160004
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)[N+](=O)[O-])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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-14-19(21(25)28-2)18(12-16-9-6-10-17(11-16)23(26)27)20(24)22(14)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3/b18-12-InChIKey
ZBAPUKYRRFJADK-PDGQHHTCSA-NSynonyms
CC1=C(C(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)(N+)(=O)(O))Cc1ccccc1
InChI=1SC21H18N2O5c11419(21(25)282)18(1216961017(1116)23(26)27)20(24)22(14)13157435815h312H13H212H3b1812
METHYL(4Z)1BENZYL2METHYL4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1BENZYL2METHYL4(3NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01893893
ZINC000001196273
ZINC01196273
ZINC1196273
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