Vitas-M small molecule compound

N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}cyclohexanecarboxamide

Catalog ID
STK735498
SMILES COc1cc(Cc2nccc3c2cc(OC)c(c3)OC)c(cc1OC)NC(=O)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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-31-23-13-18-10-11-28-22(20(18)15-25(23)33-3)12-19-14-24(32-2)26(34-4)16-21(19)29-27(30)17-8-6-5-7-9-17/h10-11,13-17H,5-9,12H2,1-4H3,(H,29,30)
InChIKey
CEXXJOUBKACANZ-UHFFFAOYSA-N
Synonyms
725692-28-4
725692284
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4CCCCC4)OC)OC)OC
InChI=1SC27H32N2O5c13123131810112822(20(18)1525(23)333)12191424(322)26(344)1621(19)2927(30)178657917h10111317H5912H214H3(H2930)
MFCD03850065
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)cyclohexanecarboxamide
ZINC000002199014
ZINC02199014
ZINC2199014

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Available files

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