Vitas-M small molecule compound
(5Z)-1-(4-fluorobenzyl)-2,6-dioxo-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)hydrazinyl]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL055005
SMILES Fc1ccc(cc1)CN1C(=O)N=C(/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[O-]
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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 C20H19FN8O5 MW 470.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN8O5/c1-26-13-14(27(2)20(34)28(3)17(13)32)23-18(26)25-22-8-12-15(30)24-19(33)29(16(12)31)9-10-4-6-11(21)7-5-10/h4-8,22H,9H2,1-3H3,(H,23,25)(H,24,30,33)/b12-8-InChIKey
QAIYFZBAWKIOOI-WQLSENKSSA-NSynonyms
(5Z)1((4fluorophenyl)methyl)5((2(137trimethyl26dioxopurin8yl)hydrazinyl)methylidene)13diazinane246trione
(5Z)1(4fluorobenzyl)26dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1256tetrahydropyrimidin4olate
CN1C2=C(N=C1NNC=C3C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)F)N(C(=O)N(C2=O)C)C
Fc1ccc(cc1)CN1C(=O)N=C(C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)(O)
InChI=1SC20H19FN8O5c1261314(27(2)20(34)28(3)17(13)32)2318(26)252281215(30)2419(33)29(16(12)31)9104611(21)7510h4822H9H213H3(H2325)(H243033)b128
MFCD18249644
ZINC000016956314
ZINC16956314
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