Vitas-M small molecule compound

3-{(E)-[(4-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate

Catalog ID
STK749185
SMILES Cc1ccc(cc1)/N=C/c1cccc(c1)OC(=O)c1cc(cc(c1)[N+](=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 C21H15N3O6 MW 405.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O6/c1-14-5-7-17(8-6-14)22-13-15-3-2-4-20(9-15)30-21(25)16-10-18(23(26)27)12-19(11-16)24(28)29/h2-13H,1H3/b22-13+
InChIKey
GNBKTUZNSWXLDH-LPYMAVHISA-N
Synonyms

3((E)((4methylphenyl)imino)methyl)phenyl35dinitrobenzoate
Cc1ccc(cc1)N=Cc1cccc(c1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
MFCD00735584
ZINC000003082805

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Available files

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