Vitas-M small molecule compound

1-(2,5-dimethylphenyl)-4-hydroxy-6-oxo-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-1-yl)-1,6-dihydropyrimidine-2-thiolate

Catalog ID
STL529122
SMILES Cc1ccc(c(c1)n1c([S-])nc(c(c1=O)C1[NH2+]CCc2c1[nH]c1c2cccc1)O)C

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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/c1-12-7-8-13(2)17(11-12)27-22(29)18(21(28)26-23(27)30)20-19-15(9-10-24-20)14-5-3-4-6-16(14)25-19/h3-8,11,20,24-25,28H,9-10H2,1-2H3,(H,26,30)
InChIKey
SVZNUEHNBHFUAH-UHFFFAOYSA-N
Synonyms

1(25dimethylphenyl)4hydroxy6oxo5(2349tetrahydro1Hbetacarbolin2ium1yl)16dihydropyrimidine2thiolate
InChI=1SC23H22N4O2Sc1127813(2)17(1112)2722(29)18(21(28)2623(27)30)201915(9102420)14534616(14)2519h381120242528H910H212H3(H2630)
MFCD31753924
ZINC000001322732
ZINC000001322733

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Available files

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