Vitas-M small molecule compound
4-hydroxy-6-oxo-1-(2-phenylethyl)-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-1-yl)-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL528949
SMILES [S-]c1nc(O)c(c(=O)n1CCc1ccccc1)C1[NH2+]CCc2c1[nH]c1c2cccc1
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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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c28-21-18(20-19-16(10-12-24-20)15-8-4-5-9-17(15)25-19)22(29)27(23(30)26-21)13-11-14-6-2-1-3-7-14/h1-9,20,24-25,28H,10-13H2,(H,26,30)InChIKey
GUDYFMZGYBKFRU-UHFFFAOYSA-NSynonyms
4hydroxy6oxo1(2phenylethyl)5(2349tetrahydro1Hbetacarbolin2ium1yl)16dihydropyrimidine2thiolate
InChI=1SC23H22N4O2Sc282118(201916(10122420)15845917(15)2519)22(29)27(23(30)2621)1311146213714h1920242528H1013H2(H2630)
MFCD31753910
ZINC000001322939
ZINC000001322940
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