Vitas-M small molecule compound

methyl 3-[(3E)-3-(4-nitrobenzylidene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]benzoate

Catalog ID
STK197470
SMILES COC(=O)c1cccc(c1)N1C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C=C1c1ccccc1

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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 C25H18N2O5 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5/c1-32-25(29)19-8-5-9-22(15-19)26-23(18-6-3-2-4-7-18)16-20(24(26)28)14-17-10-12-21(13-11-17)27(30)31/h2-16H,1H3/b20-14+
InChIKey
CEDILOLVJVLNQV-XSFVSMFZSA-N
Synonyms
COC(=O)C1=CC(=CC=C1)N2C(=CC(=CC3=CC=C(C=C3)(N+)(=O)(O))C2=O)C4=CC=CC=C4
COC(=O)c1cccc(c1)N1C(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C=C1c1ccccc1
methyl3((3E)3((4nitrophenyl)methylidene)2oxo5phenylpyrrol1yl)benzoate
METHYL3((3E)3(4NITROBENZYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)BENZOATE
Registry IDs
MFCD01534913
ZINC000008872217
ZINC08872217
ZINC8872217

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.