Vitas-M small molecule compound

N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide

Catalog ID
STL558100
SMILES COc1cc(NS(=O)(=O)c2ccc3c(c2)sc(n3)SC)c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

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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 C28H27N3O6S3 MW 597.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6S3/c1-34-23-11-16-8-9-29-22(19(16)14-25(23)36-3)10-17-12-24(35-2)26(37-4)15-21(17)31-40(32,33)18-6-7-20-27(13-18)39-28(30-20)38-5/h6-9,11-15,31H,10H2,1-5H3
InChIKey
RZGKGTXDRIRYQF-UHFFFAOYSA-N
Synonyms
716342-10-8
~(N)(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)2methylsulfanyl13benzothiazole6sulfonamide
1574432
716342108
InChI=1SC28H27N3O6S3c134231116892922(19(16)1425(23)363)10171224(352)26(374)1521(17)3140(3233)18672027(1318)3928(3020)385h69111531H10H215H3
MFCD03266912
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)2(methylsulfanyl)13benzothiazole6sulfonamide
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)2(methylthio)benzo(d)thiazole6sulfonamide
N(2((67DIMETHOXYISOQUINOLIN1YL)METHYL)45DIMETHOXYPHENYL)2METHYLSULFANYL13BENZOTHIAZOLE6SULFONAMIDE
ZINC000001785529
ZINC1785529

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Available files

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