Vitas-M small molecule compound

4-(methylamino)-3,5-dinitrobenzoic acid

Catalog ID
STL432241
SMILES CNc1c(cc(cc1[N+](=O)[O-])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 C8H7N3O6 MW 241.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7N3O6/c1-9-7-5(10(14)15)2-4(8(12)13)3-6(7)11(16)17/h2-3,9H,1H3,(H,12,13)
InChIKey
CEJSJXWFXSXWCA-UHFFFAOYSA-N
Synonyms
64732-83-8
4(methylamino)35dinitrobenzoicacid
64732838
CNC1=C(C=C(C=C1(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
CNc1c(cc(cc1(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
InChI=1SC8H7N3O6c1975(10(14)15)24(8(12)13)36(7)11(16)17h239H1H3(H1213)
MFCD00435690
ZINC000004181442
ZINC4181442

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Available files

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