Vitas-M small molecule compound
3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STL527549
SMILES COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)Br
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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 C21H20BrN3O4S MW 490.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O4S/c1-28-15-9-11-7-8-23-18(14(11)10-16(15)29-2)17-19(26)24-21(30)25(20(17)27)13-5-3-12(22)4-6-13/h3-6,9-10,18,23,26H,7-8H2,1-2H3,(H,24,30)InChIKey
KXNQONJPVVTKDJ-UHFFFAOYSA-NSynonyms
3(4bromophenyl)5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2thioxo23dihydropyrimidin4(1H)one
COc1cc2c(cc1OC)CCNC2c1c(O)(nH)c(=S)n(c1=O)c1ccc(cc1)Br
InChI=1SC21H20BrN3O4Sc12815911782318(14(11)1016(15)292)1719(26)2421(30)25(20(17)27)135312(22)4613h36910182326H78H212H3(H2430)
MFCD03660238
ZINC000017045483
ZINC000017045486
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