Vitas-M small molecule compound

5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(2-methylphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Catalog ID
STK548064
SMILES CC(=O)N1CCc2c(C1c1c(O)[nH]c(=S)n(c1=O)c1ccccc1C)cccc2

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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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-13-7-3-6-10-17(13)25-21(28)18(20(27)23-22(25)29)19-16-9-5-4-8-15(16)11-12-24(19)14(2)26/h3-10,19,27H,11-12H2,1-2H3,(H,23,29)
InChIKey
GCBKXCUUYWWXEB-UHFFFAOYSA-N
Synonyms

5(2acetyl1234tetrahydroisoquinolin1yl)6hydroxy2thioxo3(otolyl)23dihydropyrimidin4(1H)one
5(2acetyl1234tetrahydroisoquinolin1yl)6hydroxy3(2methylphenyl)2thioxo23dihydropyrimidin4(1H)one
CC(=O)N1CCc2c(C1c1c(O)(nH)c(=S)n(c1=O)c1ccccc1C)cccc2
MFCD03667120
ZINC000100925365
ZINC000100925369

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Available files

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