Vitas-M small molecule compound
1-(butan-2-yl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STL527338
SMILES CCC(n1c(=S)[nH]c(=O)c(c1O)C1NCCc2c1cc(OC)c(c2)OC)C
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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 C19H25N3O4S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O4S/c1-5-10(2)22-18(24)15(17(23)21-19(22)27)16-12-9-14(26-4)13(25-3)8-11(12)6-7-20-16/h8-10,16,20,24H,5-7H2,1-4H3,(H,21,23,27)InChIKey
HHYFLAYINTXGAI-UHFFFAOYSA-NSynonyms
858746-53-91(butan2yl)5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2thioxo23dihydropyrimidin4(1H)one
1(secbutyl)5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2thioxo23dihydropyrimidin4(1H)one
1butan2yl5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2sulfanylidenepyrimidin4one
3726473
858746539
CCC(n1c(=S)(nH)c(=O)c(c1O)C1NCCc2c1cc(OC)c(c2)OC)C
InChI=1SC19H25N3O4Sc1510(2)2218(24)15(17(23)2119(22)27)1612914(264)13(253)811(12)672016h810162024H57H214H3(H212327)
MFCD03266949
ZINC000100747926
ZINC000100747931
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