Vitas-M small molecule compound

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

Catalog ID
STK545875
SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])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 C14H14N2O6 MW 306.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O6/c1-3-22-14(19)10-11(15(2)13(18)12(10)17)8-4-6-9(7-5-8)16(20)21/h4-7,11,17H,3H2,1-2H3
InChIKey
FRNMWDNGNPNYES-UHFFFAOYSA-N
Synonyms
425427-40-3
(4E)4(ETHOXY(HYDROXY)METHYLIDENE)1METHYL5(4NITROPHENYL)PYRROLIDINE23DIONE
(4Z)4(ETHOXY(HYDROXY)METHYLIDENE)1METHYL5(4NITROPHENYL)PYRROLIDINE23DIONE
4(ETHOXY(HYDROXY)METHYLIDENE)1METHYL5(4NITROPHENYL)PYRROLIDINE23DIONE
425427403
CCOC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)(N+)(=O)(O))C)O
CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))C
ethyl4hydroxy1methyl2(4nitrophenyl)5oxo25dihydro1Hpyrrole3carboxylate
ethyl4hydroxy1methyl2(4nitrophenyl)5oxo2Hpyrrole3carboxylate
InChI=1SC14H14N2O6c132214(19)1011(15(2)13(18)12(10)17)8469(758)16(20)21h471117H3H212H3
MFCD02157679
ZINC000000443878
ZINC000006499486

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Available files

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