Vitas-M small molecule compound
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1,3-diphenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STK547172
SMILES COc1cc2c(cc1OC)CCNC2c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1
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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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-33-21-15-17-13-14-28-24(20(17)16-22(21)34-2)23-25(31)29(18-9-5-3-6-10-18)27(35)30(26(23)32)19-11-7-4-8-12-19/h3-12,15-16,24,28,31H,13-14H2,1-2H3InChIKey
QTPPHGFAQLRXIZ-UHFFFAOYSA-NSynonyms
1189922-01-71189922017
5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy13diphenyl2sulfanylidenepyrimidin4one
5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy13diphenyl2thioxo23dihydropyrimidin4(1H)one
COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O)OC
InChI=1SC27H25N3O4Sc13321151713142824(20(17)1622(21)342)2325(31)29(1895361018)27(35)30(26(23)32)19117481219h3121516242831H1314H212H3
MFCD03663007
ZINC000020132676
ZINC000020132680
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