Vitas-M small molecule compound
methyl (4Z)-1-benzyl-2-methyl-4-(2-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160016
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[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)17(12-16-10-6-7-11-18(16)23(26)27)20(24)22(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12-InChIKey
HSKFFDLEDHKIEL-ATVHPVEESA-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=Cc1ccccc1(N+)(=O)(O))Cc1ccccc1
InChI=1SC21H18N2O5c11419(21(25)282)17(121610671118(16)23(26)27)20(24)22(14)13158435915h312H13H212H3b1712
METHYL(4Z)1BENZYL2METHYL4((2NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1BENZYL2METHYL4(2NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01893938
ZINC000001198586
ZINC01198586
ZINC1198586
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