Vitas-M small molecule compound

N-cyclohexyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-3-nitrobenzamide

Catalog ID
STK260324
SMILES COc1ccc(cc1)c1noc(n1)CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])C)C1CCCCC1

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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 C24H26N4O5 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5/c1-16-8-9-18(14-21(16)28(30)31)24(29)27(19-6-4-3-5-7-19)15-22-25-23(26-33-22)17-10-12-20(32-2)13-11-17/h8-14,19H,3-7,15H2,1-2H3
InChIKey
LELNQLRAANLTDB-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=NO2)C3=CC=C(C=C3)OC)C4CCCCC4)(N+)(=O)(O)
COc1ccc(cc1)c1noc(n1)CN(C(=O)c1ccc(c(c1)(N+)(=O)(O))C)C1CCCCC1
InChI=1SC24H26N4O5c1168918(1421(16)28(30)31)24(29)27(196435719)15222523(263322)17101220(322)131117h81419H3715H212H3
MFCD08681408
NcyclohexylN((3(4methoxyphenyl)124oxadiazol5yl)methyl)4methyl3nitrobenzamide
ZINC000009426401
ZINC09426401
ZINC9426401

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Available files

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