Vitas-M small molecule compound
6-hydroxy-3-(3-methylphenyl)-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Catalog ID
STL528305
SMILES Cc1cccc(c1)n1c(S)nc(c(c1=O)C1NCCc2c1[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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c1-12-5-4-6-13(11-12)26-21(28)17(20(27)25-22(26)29)19-18-15(9-10-23-19)14-7-2-3-8-16(14)24-18/h2-8,11,19,23-24,27H,9-10H2,1H3,(H,25,29)InChIKey
KJCATAWQFHHVIF-UHFFFAOYSA-NSynonyms
6hydroxy3(3methylphenyl)2sulfanyl5(2349tetrahydro1Hbetacarbolin1yl)pyrimidin4(3H)one
InChI=1SC22H20N4O2Sc11254613(1112)2621(28)17(20(27)2522(26)29)191815(9102319)14723816(14)2418h281119232427H910H21H3(H2529)
MFCD04079656
ZINC000001318071
ZINC000100755402
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