Vitas-M small molecule compound
3-(2,5-dimethoxyphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STK546735
SMILES COc1ccc(c(c1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O)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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-27-13-7-8-16(28-2)15(11-13)24-20(26)17(19(25)23-21(24)29)18-14-6-4-3-5-12(14)9-10-22-18/h3-8,11,18,22,25H,9-10H2,1-2H3,(H,23,29)InChIKey
QUDLWXXLAFHFHT-UHFFFAOYSA-NSynonyms
3(25dimethoxyphenyl)6hydroxy5(1234tetrahydroisoquinolin1yl)2thioxo23dihydropyrimidin4(1H)one
COc1ccc(c(c1)n1c(=S)(nH)c(c(c1=O)C1NCCc2c1cccc2)O)OC
MFCD03666763
ZINC000020149998
ZINC000020149999
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