Vitas-M small molecule compound

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

Catalog ID
STL282589
SMILES Cc1cccc(c1)c1oc2c(n1)ccc(c2)/N=C/c1cc(ccc1O)[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 C21H15N3O4 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4/c1-13-3-2-4-14(9-13)21-23-18-7-5-16(11-20(18)28-21)22-12-15-10-17(24(26)27)6-8-19(15)25/h2-12,25H,1H3/b22-12+
InChIKey
ORLQEFLTAFFZHE-WSDLNYQXSA-N
Synonyms

2((E)((2(3methylphenyl)13benzoxazol6yl)imino)methyl)4nitrophenol
Cc1cccc(c1)c1oc2c(n1)ccc(c2)N=Cc1cc(ccc1O)(N+)(=O)(O)
MFCD24851130
ZINC000102417516

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Available files

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