Vitas-M small molecule compound

octyl 2-[(2,4-dinitrophenyl)amino]benzoate

Catalog ID
STK289891
SMILES CCCCCCCCOC(=O)c1ccccc1Nc1ccc(cc1[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 C21H25N3O6 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6/c1-2-3-4-5-6-9-14-30-21(25)17-10-7-8-11-18(17)22-19-13-12-16(23(26)27)15-20(19)24(28)29/h7-8,10-13,15,22H,2-6,9,14H2,1H3
InChIKey
DOLXHYXQSHZFGN-UHFFFAOYSA-N
Synonyms

2(24DINITROPHENYLAMINO)BENZOICACIDOCTYLESTER
CCCCCCCCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCCOC(=O)c1ccccc1Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H25N3O6c1234569143021(25)1710781118(17)2219131216(23(26)27)1520(19)24(28)29h7810131522H26914H21H3
MFCD00339855
octyl2((24dinitrophenyl)amino)benzoate
OCTYL2(24BISNITROANILINO)BENZOATE
OCTYL2(24DINITROANILINO)BENZOATE
ZINC000008435468
ZINC08435468
ZINC8435468

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Available files

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