Vitas-M small molecule compound

4-[(3,4-dimethylphenyl)amino]-3,5-dinitrobenzoic acid

Catalog ID
STL510504
SMILES OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1ccc(c(c1)C)C

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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 C15H13N3O6 MW 331.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O6/c1-8-3-4-11(5-9(8)2)16-14-12(17(21)22)6-10(15(19)20)7-13(14)18(23)24/h3-7,16H,1-2H3,(H,19,20)
InChIKey
AACJWVBOCTXKHN-UHFFFAOYSA-N
Synonyms
299965-36-9
299965369
35DINITRO4(34XYLIDINO)BENZOICACID
4((34dimethylphenyl)amino)35dinitrobenzoicacid
4(34DIMETHYLANILINO)35BISNITROBENZOICACID
4(34DIMETHYLANILINO)35DINITROBENZOICACID
4(34DIMETHYLPHENYLAMINO)35DINITROBENZOICACID
542389
InChI=1SC15H13N3O6c183411(59(8)2)161412(17(21)22)610(15(19)20)713(14)18(23)24h3716H12H3(H1920)
MFCD00385987
ZINC000004314242

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Available files

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