Vitas-M small molecule compound
3-(4-methylphenyl)-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
STL528657
SMILES Cc1ccc(cc1)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 C22H20N4O3 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3/c1-12-6-8-13(9-7-12)26-21(28)17(20(27)25-22(26)29)19-18-15(10-11-23-19)14-4-2-3-5-16(14)24-18/h2-9,19,23-24,28H,10-11H2,1H3,(H,25,27,29)InChIKey
ACBZHHBZYQWZKB-UHFFFAOYSA-NSynonyms
859659-15-73(4methylphenyl)26dioxo5(2349tetrahydro1Hbetacarbolin2ium1yl)1236tetrahydropyrimidin4olate
3699608
6hydroxy1(4methylphenyl)5(2349tetrahydro1~(H)pyrido(34b)indol1yl)pyrimidine24dione
859659157
InChI=1SC22H20N4O3c1126813(9712)2621(28)17(20(27)2522(26)29)191815(10112319)14423516(14)2418h2919232428H1011H21H3(H252729)
MFCD04142364
ZINC000100754585
ZINC000100754588
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