Vitas-M small molecule compound
4-hydroxy-1-(4-methoxyphenyl)-6-oxo-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-1-yl)-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL529437
SMILES COc1ccc(cc1)n1c([S-])nc(c(c1=O)C1[NH2+]CCc2c1[nH]c1c2cccc1)O
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-29-13-8-6-12(7-9-13)26-21(28)17(20(27)25-22(26)30)19-18-15(10-11-23-19)14-4-2-3-5-16(14)24-18/h2-9,19,23-24,27H,10-11H2,1H3,(H,25,30)InChIKey
JOSHOVLDVKDOCJ-UHFFFAOYSA-NSynonyms
4hydroxy1(4methoxyphenyl)6oxo5(2349tetrahydro1Hbetacarbolin2ium1yl)16dihydropyrimidine2thiolate
InChI=1SC22H20N4O3Sc129138612(7913)2621(28)17(20(27)2522(26)30)191815(10112319)14423516(14)2418h2919232427H1011H21H3(H2530)
MFCD31753944
ZINC000001318094
ZINC000001318095
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