Vitas-M small molecule compound

3-(acetylamino)-5-nitrobenzoic acid

Catalog ID
STK366082
SMILES CC(=O)Nc1cc(cc(c1)C(=O)O)[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 C9H8N2O5 MW 224.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O5/c1-5(12)10-7-2-6(9(13)14)3-8(4-7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKey
PXAFGNQRBIXGLM-UHFFFAOYSA-N
Synonyms
5464-58-4
3(acetylamino)5nitrobenzoicacid
3ACETAMIDO5NITROBENZOICACID
3ACETYLAMINO5NITROBENZOICACID
3ACETYLAMINO5NITROBENZOOICACID
5(ACETYLAMINO)3NITROBENZOICACID
5464584
BENZOICACID3(ACETYLAMINO)5NITRO
CC(=O)NC1=CC(=CC(=C1)C(=O)O)(N+)(=O)(O)
CC(=O)Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O)
InChI=1SC9H8N2O5c15(12)10726(9(13)14)38(47)11(15)16h24H1H3(H1012)(H1314)
MFCD00458683
ZINC000001706881
ZINC1706881

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Available files

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