Vitas-M small molecule compound

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

Catalog ID
STK666159
SMILES COc1cc(Cc2nccc3c2cc(OC)c(c3)OC)c(cc1OC)NC(=O)c1c(OC)cccc1OC

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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 C29H30N2O7 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7/c1-33-22-8-7-9-23(34-2)28(22)29(32)31-20-16-27(38-6)25(36-4)14-18(20)12-21-19-15-26(37-5)24(35-3)13-17(19)10-11-30-21/h7-11,13-16H,12H2,1-6H3,(H,31,32)
InChIKey
JTHFNGYHGMMENP-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC(=C(C=C2CC3=NC=CC4=CC(=C(C=C43)OC)OC)OC)OC
InChI=1SC29H30N2O7c1332287923(342)28(22)29(32)31201627(386)25(364)1418(20)1221191526(375)24(353)1317(19)10113021h7111316H12H216H3(H3132)
MFCD06016541
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)26dimethoxybenzamide
ZINC000012371622
ZINC12371622

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Available files

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