Vitas-M small molecule compound
1-(2-chlorophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STK624929
SMILES COc1cc2c(cc1OC)CCNC2c1c(=O)[nH]c(=S)n(c1O)c1ccccc1Cl
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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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-28-15-9-11-7-8-23-18(12(11)10-16(15)29-2)17-19(26)24-21(30)25(20(17)27)14-6-4-3-5-13(14)22/h3-6,9-10,18,23,27H,7-8H2,1-2H3,(H,24,26,30)InChIKey
NAUHLXURWLPRPY-UHFFFAOYSA-NSynonyms
1190260-40-21(2chlorophenyl)5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2sulfanylidenepyrimidin4one
1(2chlorophenyl)5(67dimethoxy1234tetrahydroisoquinolin1yl)6hydroxy2thioxo23dihydropyrimidin4(1H)one
1190260402
COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)O)OC
COc1cc2c(cc1OC)CCNC2c1c(=O)(nH)c(=S)n(c1O)c1ccccc1Cl
InChI=1SC21H20ClN3O4Sc12815911782318(12(11)1016(15)292)1719(26)2421(30)25(20(17)27)14643513(14)22h36910182327H78H212H3(H242630)
MFCD03660419
ZINC000002231060
ZINC000002231062
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