Vitas-M small molecule compound

methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate

Catalog ID
STK663476
SMILES COC(=O)c1cc(CN2C(=O)c3c(C2=O)cccc3)c(c(c1)[N+](=O)[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 C17H12N2O7 MW 356.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3
InChIKey
HAIYABUPJWVPCY-UHFFFAOYSA-N
Synonyms
COC(=O)C1=CC(=C(C(=C1)(N+)(=O)(O))O)CN2C(=O)C3=CC=CC=C3C2=O
COC(=O)c1cc(CN2C(=O)c3c(C2=O)cccc3)c(c(c1)(N+)(=O)(O))O
methyl3((13dioxo13dihydro2Hisoindol2yl)methyl)4hydroxy5nitrobenzoate
METHYL3((13DIOXOISOINDOL2YL)METHYL)4HYDROXY5NITROBENZOATE
METHYL5((13DIOXOBENZO(C)AZOLIN2YL)METHYL)4HYDROXY3NITROBENZOATE
Registry IDs
MFCD03196014
ZINC000004580134
ZINC4580134

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Available files

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