Vitas-M small molecule compound

2-carbamoyl-3-nitrobenzoic acid

Catalog ID
STK689836
SMILES OC(=O)c1cccc(c1C(=O)N)[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 C8H6N2O5 MW 210.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O5/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15/h1-3H,(H2,9,11)(H,12,13)
InChIKey
IGLWGHRTQOYFDV-UHFFFAOYSA-N
Synonyms
77326-45-5
2AMINOCARBONYL3NITROBENZOICACID
2carbamoyl3nitrobenzoicacid
2CARBOXY6NITROBENZAMIDE
3NITROPHTHALAMICACID
77326455
BENZOICACID2(AMINOCARBONYL)3NITRO
C1=CC(=C(C(=C1)(N+)(=O)(O))C(=O)N)C(=O)O
InChI=1SC8H6N2O5c97(11)64(8(12)13)2135(6)10(14)15h13H(H2911)(H1213)
MFCD08445350
OC(=O)c1cccc(c1C(=O)N)(N+)(=O)(O)
ZINC000001604804
ZINC1604804

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Available files

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