Vitas-M small molecule compound

ethyl 4-hydroxy-1-(4-methylphenyl)-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK568236
SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c1-3-28-20(25)16-17(13-5-4-6-15(11-13)22(26)27)21(19(24)18(16)23)14-9-7-12(2)8-10-14/h4-11,17,23H,3H2,1-2H3
InChIKey
OPFHVSPEHJGZNS-UHFFFAOYSA-N
Synonyms
713092-46-7
(4E)4(ETHOXY(HYDROXY)METHYLIDENE)1(4METHYLPHENYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
4(ETHOXY(HYDROXY)METHYLIDENE)1(4METHYLPHENYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
713092467
CCOC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)C)O
CCOC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)C
ethyl4hydroxy1(4methylphenyl)2(3nitrophenyl)5oxo25dihydro1Hpyrrole3carboxylate
ethyl4hydroxy1(4methylphenyl)2(3nitrophenyl)5oxo2Hpyrrole3carboxylate
ethyl4hydroxy2(3nitrophenyl)5oxo1(ptolyl)25dihydro1Hpyrrole3carboxylate
InChI=1SC20H18N2O6c132820(25)1617(1354615(1113)22(26)27)21(19(24)18(16)23)149712(2)81014h4111723H3H212H3
MFCD02158784
ZINC000005644383
ZINC000005644391

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Available files

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