Vitas-M small molecule compound

5-(2-nitrophenyl)-2-benzofuran-1,3-dione

Catalog ID
STK291044
SMILES O=C1OC(=O)c2c1cc(cc2)c1ccccc1[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 C14H7NO5 MW 269.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H7NO5/c16-13-10-6-5-8(7-11(10)14(17)20-13)9-3-1-2-4-12(9)15(18)19/h1-7H
InChIKey
XTNGWLMGHJZOHD-UHFFFAOYSA-N
Synonyms

5(2nitrophenyl)2benzofuran13dione
C1=CC=C(C(=C1)C2=CC3=C(C=C2)C(=O)OC3=O)(N+)(=O)(O)
InChI=1SC14H7NO5c161310658(711(10)14(17)2013)9312412(9)15(18)19h17H
MFCD09960297
O=C1OC(=O)c2c1cc(cc2)c1ccccc1(N+)(=O)(O)
ZINC000102509765
ZINC102509765

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Available files

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