Vitas-M small molecule compound

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

Catalog ID
STK570469
SMILES CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(c(c1)OC)OC)c1ccc(cc1)[N+](=O)[O-]

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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 C21H20N2O8 MW 428.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O8/c1-4-31-21(26)17-18(12-5-10-15(29-2)16(11-12)30-3)22(20(25)19(17)24)13-6-8-14(9-7-13)23(27)28/h5-11,18,24H,4H2,1-3H3
InChIKey
QHXCGEIDNIIQJN-UHFFFAOYSA-N
Synonyms
714246-20-5
(4E)5(34DIMETHOXYPHENYL)4(ETHOXY(HYDROXY)METHYLIDENE)1(4NITROPHENYL)PYRROLIDINE23DIONE
5(34DIMETHOXYPHENYL)4(ETHOXY(HYDROXY)METHYLIDENE)1(4NITROPHENYL)PYRROLIDINE23DIONE
714246205
CCOC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)(N+)(=O)(O))O
CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(c(c1)OC)OC)c1ccc(cc1)(N+)(=O)(O)
ethyl2(34dimethoxyphenyl)4hydroxy1(4nitrophenyl)5oxo25dihydro1Hpyrrole3carboxylate
ethyl2(34dimethoxyphenyl)4hydroxy1(4nitrophenyl)5oxo2Hpyrrole3carboxylate
InChI=1SC21H20N2O8c143121(26)1718(1251015(292)16(1112)303)22(20(25)19(17)24)136814(9713)23(27)28h5111824H4H213H3
MFCD02158795
ZINC000020462321
ZINC000020462324

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Available files

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