Vitas-M small molecule compound
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(isoquinolin-1-ylsulfanyl)acetamide
Catalog ID
STK665899
SMILES COc1cc(NC(=O)CSc2nccc3c2cccc3)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 C31H29N3O5S MW 555.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5S/c1-36-26-14-20-10-11-32-25(23(20)16-28(26)38-3)13-21-15-27(37-2)29(39-4)17-24(21)34-30(35)18-40-31-22-8-6-5-7-19(22)9-12-33-31/h5-12,14-17H,13,18H2,1-4H3,(H,34,35)InChIKey
VDJZOSDCZNDLHN-UHFFFAOYSA-NSynonyms
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC=CC5=CC=CC=C54)OC)OC)OC
InChI=1SC31H29N3O5Sc13626142010113225(23(20)1628(26)383)13211527(372)29(394)1724(21)3430(35)18403122865719(22)9123331h5121417H1318H214H3(H3435)
MFCD12034080
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)2(isoquinolin1ylsulfanyl)acetamide
N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)2isoquinolin1ylsulfanylacetamide
ZINC000100241378
ZINC100241378
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