Vitas-M small molecule compound

ethyl (4Z)-2-methyl-1-(4-methylphenyl)-4-(2-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160289
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])c1ccc(cc1)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 C22H20N2O5 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5/c1-4-29-22(26)20-15(3)23(17-11-9-14(2)10-12-17)21(25)18(20)13-16-7-5-6-8-19(16)24(27)28/h5-13H,4H2,1-3H3/b18-13-
InChIKey
AHOQYXFMEJIHSV-AQTBWJFISA-N
Synonyms

CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))c1ccc(cc1)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CC=C2(N+)(=O)(O))C3=CC=C(C=C3)C)C
ETHYL(4Z)2METHYL1(4METHYLPHENYL)4((2NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)2METHYL1(4METHYLPHENYL)4(2NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC22H20N2O5c142922(26)2015(3)23(1711914(2)101217)21(25)18(20)1316756819(16)24(27)28h513H4H213H3b1813
MFCD03710828
ZINC000014009200
ZINC14009200

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Available files

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