Vitas-M small molecule compound

ethyl 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK359802
SMILES CCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)[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 C17H12N2O6 MW 340.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O6/c1-2-25-17(22)10-6-7-13-14(8-10)16(21)18(15(13)20)11-4-3-5-12(9-11)19(23)24/h3-9H,2H2,1H3
InChIKey
WZSLRHJBBLBQKW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O)
ETHYL2(3NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
ETHYL2(3NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
InChI=1SC17H12N2O6c122517(22)10671314(810)16(21)18(15(13)20)1143512(911)19(23)24h39H2H21H3
MFCD00592791
ZINC000000243735
ZINC00243735
ZINC243735

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Available files

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