Vitas-M small molecule compound

2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-nitrophenol

Catalog ID
STK662299
SMILES Cc1cc(ccc1C)c1nc2c(o1)ccc(c2)/N=C/c1cccc(c1O)[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 C22H17N3O4 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4/c1-13-6-7-15(10-14(13)2)22-24-18-11-17(8-9-20(18)29-22)23-12-16-4-3-5-19(21(16)26)25(27)28/h3-12,26H,1-2H3/b23-12+
InChIKey
MTHTVCDBBCHQMZ-FSJBWODESA-N
Synonyms

2((E)((2(34dimethylphenyl)13benzoxazol5yl)imino)methyl)6nitrophenol
Cc1cc(ccc1C)c1nc2c(o1)ccc(c2)N=Cc1cccc(c1O)(N+)(=O)(O)
MFCD00821439
ZINC000003113642

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Available files

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