Vitas-M small molecule compound

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide

Catalog ID
STK294681
SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)[N+](=O)[O-])c1nc2c(o1)cccc2

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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 C21H15N3O5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5/c1-28-18-11-8-14(21-23-16-4-2-3-5-19(16)29-21)12-17(18)22-20(25)13-6-9-15(10-7-13)24(26)27/h2-12H,1H3,(H,22,25)
InChIKey
DKNGUCQDTFUTTE-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1NC(=O)c1ccc(cc1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC21H15N3O5c1281811814(212316423519(16)2921)1217(18)2220(25)136915(10713)24(26)27h212H1H3(H2225)
MFCD08092703
N(5(13benzoxazol2yl)2methoxyphenyl)4nitrobenzamide
ZINC000013946182
ZINC13946182

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Available files

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