Vitas-M small molecule compound

4-(1,3-benzoxazol-2-yl)-N-[(E)-(3,5-dinitrophenyl)methylidene]aniline

Catalog ID
STK753058
SMILES [O-][N+](=O)c1cc(/C=N/c2ccc(cc2)c2nc3c(o2)cccc3)cc(c1)[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 C20H12N4O5 MW 388.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N4O5/c25-23(26)16-9-13(10-17(11-16)24(27)28)12-21-15-7-5-14(6-8-15)20-22-18-3-1-2-4-19(18)29-20/h1-12H/b21-12+
InChIKey
SQEWOZPTAYVXKQ-CIAFOILYSA-N
Synonyms

(O)(N+)(=O)c1cc(C=Nc2ccc(cc2)c2nc3c(o2)cccc3)cc(c1)(N+)(=O)(O)
4(13benzoxazol2yl)N((E)(35dinitrophenyl)methylidene)aniline
MFCD00822390
ZINC000003115428

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Available files

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