Vitas-M small molecule compound
ethyl (4Z)-1-(4-bromophenyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL330530
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Br
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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 C21H17BrN2O5 MW 457.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O5/c1-3-29-21(26)19-13(2)23(16-10-6-15(22)7-11-16)20(25)18(19)12-14-4-8-17(9-5-14)24(27)28/h4-12H,3H2,1-2H3/b18-12-InChIKey
AYTVSTNQRAOQFB-PDGQHHTCSA-NSynonyms
(Z)ethyl1(4bromophenyl)2methyl4(4nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)Br
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)Br)C
ETHYL(4Z)1(4BROMOPHENYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ethyl(4Z)1(4bromophenyl)2methyl4(4nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
InChI=1SC21H17BrN2O5c132921(26)1913(2)23(1610615(22)71116)20(25)18(19)12144817(9514)24(27)28h412H3H212H3b1812
MFCD01893500
ZINC000008872511
ZINC08872511
ZINC8872511
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