Vitas-M small molecule compound
1-(2,5-dimethylphenyl)-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(1H)-one
Catalog ID
STL532340
SMILES Cc1ccc(c(c1)n1c(S)nc(=O)c(c1O)C1NCCc2c1[nH]c1c2cccc1)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/h3-8,11,20,24-25,29H,9-10H2,1-2H3,(H,26,28,30)InChIKey
XRSGGQWLJFXQJB-UHFFFAOYSA-NSynonyms
1185155-36-51(25dimethylphenyl)6hydroxy2sulfanyl5(2349tetrahydro1Hbetacarbolin1yl)pyrimidin4(1H)one
1(25dimethylphenyl)6hydroxy2sulfanylidene5(2349tetrahydro1~(H)pyrido(34b)indol1yl)pyrimidin4one
1185155365
3285298
InChI=1SC23H22N4O2Sc1127813(2)17(1112)2722(29)18(21(28)2623(27)30)201915(9102420)14534616(14)2519h381120242529H910H212H3(H262830)
MFCD07211333
ZINC000017245831
ZINC000018213475
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