Vitas-M small molecule compound
2-(1,3-benzothiazol-2-ylsulfanyl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Catalog ID
STK665254
SMILES COc1cc(NC(=O)CSc2nc3c(s2)cccc3)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 C29H27N3O5S2 MW 561.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5S2/c1-34-23-12-17-9-10-30-22(19(17)14-25(23)36-3)11-18-13-24(35-2)26(37-4)15-21(18)31-28(33)16-38-29-32-20-7-5-6-8-27(20)39-29/h5-10,12-15H,11,16H2,1-4H3,(H,31,33)InChIKey
CBYOOJRDYVBAQB-UHFFFAOYSA-NSynonyms
2(13benzothiazol2ylsulfanyl)N(2((67dimethoxyisoquinolin1yl)methyl)45dimethoxyphenyl)acetamide
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC5=CC=CC=C5S4)OC)OC)OC
InChI=1SC29H27N3O5S2c1342312179103022(19(17)1425(23)363)11181324(352)26(374)1521(18)3128(33)1638293220756827(20)3929h5101215H1116H214H3(H3133)
MFCD08142689
ZINC000098048348
ZINC98048348
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