Vitas-M small molecule compound
3-(4-fluorophenyl)-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
STL528740
SMILES Fc1ccc(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 C21H17FN4O3 MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O3/c22-11-5-7-12(8-6-11)26-20(28)16(19(27)25-21(26)29)18-17-14(9-10-23-18)13-3-1-2-4-15(13)24-17/h1-8,18,23-24,28H,9-10H2,(H,25,27,29)InChIKey
IZBQSHVWJYDKNF-UHFFFAOYSA-NSynonyms
859134-41-11(4fluorophenyl)6hydroxy5(2349tetrahydro1~(H)pyrido(34b)indol1yl)pyrimidine24dione
3(4fluorophenyl)26dioxo5(2349tetrahydro1Hbetacarbolin2ium1yl)1236tetrahydropyrimidin4olate
4350648
859134411
InChI=1SC21H17FN4O3c22115712(8611)2620(28)16(19(27)2521(26)29)181714(9102318)13312415(13)2417h1818232428H910H2(H252729)
MFCD04143940
ZINC000016995797
ZINC000018169455
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