Vitas-M small molecule compound

3-(3,4-dimethylphenyl)-2,6-dioxo-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate

Catalog ID
STL528716
SMILES Cc1ccc(cc1C)n1c(=O)[nH]c(=O)c(c1[O-])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 C23H22N4O3 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3/c1-12-7-8-14(11-13(12)2)27-22(29)18(21(28)26-23(27)30)20-19-16(9-10-24-20)15-5-3-4-6-17(15)25-19/h3-8,11,20,24-25,29H,9-10H2,1-2H3,(H,26,28,30)
InChIKey
XOHWHJVNFRPPHI-UHFFFAOYSA-N
Synonyms
859665-33-1
1(34dimethylphenyl)6hydroxy5(2349tetrahydro1~(H)pyrido(34b)indol1yl)pyrimidine24dione
3(34dimethylphenyl)26dioxo5(2349tetrahydro1Hbetacarbolin2ium1yl)1236tetrahydropyrimidin4olate
3754607
859665331
InChI=1SC23H22N4O3c1127814(1113(12)2)2722(29)18(21(28)2623(27)30)201916(9102420)15534617(15)2519h381120242529H910H212H3(H262830)
MFCD04142265
ZINC000004060875
ZINC000100754492

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Available files

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