Vitas-M small molecule compound

N-cyclooctyl-4,5-dimethoxy-2-nitrobenzamide

Catalog ID
STK218014
SMILES COc1cc(C(=O)NC2CCCCCCC2)c(cc1OC)[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 C17H24N2O5 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O5/c1-23-15-10-13(14(19(21)22)11-16(15)24-2)17(20)18-12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKey
ZKZXUEDTMOYRFQ-UHFFFAOYSA-N
Synonyms

(45DIMETHOXY2NITROPHENYL)NCYCLOOCTYLCARBOXAMIDE
COC1=C(C=C(C(=C1)C(=O)NC2CCCCCCC2)(N+)(=O)(O))OC
COc1cc(C(=O)NC2CCCCCCC2)c(cc1OC)(N+)(=O)(O)
InChI=1SC17H24N2O5c123151013(14(19(21)22)1116(15)242)17(20)1812864357912h1012H39H212H3(H1820)
MFCD06634383
Ncyclooctyl45dimethoxy2nitrobenzamide
ZINC000004814309
ZINC04814309
ZINC4814309

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Available files

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