Vitas-M small molecule compound

3-amino-4-methyl-5-nitrobenzoic acid

Catalog ID
STK689347
SMILES [O-][N+](=O)c1cc(cc(c1C)N)C(=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 C8H8N2O4 MW 196.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H8N2O4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChIKey
LHZXZCIDEFEXPM-UHFFFAOYSA-N
Synonyms
54591-62-7
(O)(N+)(=O)c1cc(cc(c1C)N)C(=O)O
3amino4methyl5nitrobenzoicacid
3AMINO5NITROPTOLUICACID
54591627
5AMINO4METHYL3NITROBENZOICACID
BENZOICACID3AMINO4METHYL5NITRO
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)O)N
InChI=1SC8H8N2O4c146(9)25(8(11)12)37(4)10(13)14h23H9H21H3(H1112)
MFCD00456404
ZINC000000186659
ZINC186659

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Available files

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