Vitas-M small molecule compound

2-hydroxy-3,4-dimethyl-5-nitrobenzoic acid

Catalog ID
STL253581
SMILES [O-][N+](=O)c1cc(C(=O)O)c(c(c1C)C)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 C9H9NO5 MW 211.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9NO5/c1-4-5(2)8(11)6(9(12)13)3-7(4)10(14)15/h3,11H,1-2H3,(H,12,13)
InChIKey
BLNIDZCASLLVTR-UHFFFAOYSA-N
Synonyms
1245529-08-1
(O)(N+)(=O)c1cc(C(=O)O)c(c(c1C)C)O
2hydroxy34dimethyl5nitrobenzoicacid
CC1=C(C=C(C(=C1C)O)C(=O)O)(N+)(=O)(O)
Registry IDs
MFCD17167668
ZINC000057339453
ZINC57339453

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Available files

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