Vitas-M small molecule compound

4-(2,2-dimethylpropanoyl)-3-hydroxy-1-(4-methylphenyl)-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK764451
SMILES Cc1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)C(C)(C)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-13-5-9-15(10-6-13)23-18(14-7-11-16(12-8-14)24(28)29)17(19(25)21(23)27)20(26)22(2,3)4/h5-12,18,25H,1-4H3
InChIKey
OVXZFXOPYORVNX-UHFFFAOYSA-N
Synonyms

(5R)4(22DIMETHYLPROPANOYL)3HYDROXY1(4METHYLPHENYL)5(4NITROPHENYL)15DIHYDRO2HPYRROL2ONE
(5S)4(22DIMETHYLPROPANOYL)3HYDROXY1(4METHYLPHENYL)5(4NITROPHENYL)15DIHYDRO2HPYRROL2ONE
2HPYRROL2ONE4(22DIMETHYL1OXOPROPYL)15DIHYDRO3HYDROXY1(4METHYLPHENYL)5(4NITROPHENYL)
3(22DIMETHYLPROPANOYL)4HYDROXY1(4METHYLPHENYL)2(4NITROPHENYL)2HPYRROL5ONE
4(22dimethylpropanoyl)3hydroxy1(4methylphenyl)5(4nitrophenyl)15dihydro2Hpyrrol2one
4(22DIMETHYLPROPANOYL)3HYDROXY1(4METHYLPHENYL)5(4NITROPHENYL)3PYRROLIN2ONE
CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C(C)(C)C)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1ccc(cc1)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)C(C)(C)C
InChI=1SC22H22N2O5c1135915(10613)2318(1471116(12814)24(28)29)17(19(25)21(23)27)20(26)22(23)4h5121825H14H3
MFCD02932864
ZINC000001085836
ZINC000001085837

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Available files

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