Vitas-M small molecule compound
8-(2-{(Z)-[1-(2-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}hydrazinyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK559783
SMILES O=C1N=C(O)/C(=C/NNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)/C(=O)N1c1ccccc1F
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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 C19H17FN8O5 MW 456.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN8O5/c1-25-12-13(26(2)19(33)27(3)16(12)31)22-17(25)24-21-8-9-14(29)23-18(32)28(15(9)30)11-7-5-4-6-10(11)20/h4-8,21H,1-3H3,(H,22,24)(H,23,29,32)/b9-8-InChIKey
SIZUBTLVYXCKOB-HJWRWDBZSA-NSynonyms
(5Z)1(2fluorophenyl)5((2(137trimethyl26dioxopurin8yl)hydrazinyl)methylidene)13diazinane246trione
8(2((Z)(1(2fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
CN1C2=C(N=C1NNC=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F)N(C(=O)N(C2=O)C)C
InChI=1SC19H17FN8O5c1251213(26(2)19(33)27(3)16(12)31)2217(25)24218914(29)2318(32)28(15(9)30)11754610(11)20h4821H13H3(H2224)(H232932)b98
MFCD04072262
O=C1N=C(O)C(=CNNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)C(=O)N1c1ccccc1F
ZINC000017181053
ZINC17181053
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