Vitas-M small molecule compound
(5E)-1-(naphthalen-1-yl)-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
STL055476
SMILES O=C1N=C([O-])/C(=C\NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C(=O)N1c1cccc2c1cccc2
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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 C23H20N8O5 MW 488.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N8O5/c1-28-16-17(29(2)23(36)30(3)20(16)34)25-21(28)27-24-11-14-18(32)26-22(35)31(19(14)33)15-10-6-8-12-7-4-5-9-13(12)15/h4-11,24H,1-3H3,(H,25,27)(H,26,32,35)/b14-11+InChIKey
QBFOUODKJHEGKD-SDNWHVSQSA-NSynonyms
(5E)1(naphthalen1yl)26dioxo5((2(137trimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)hydrazinyl)methylidene)1256tetrahydropyrimidin4olate
(5E)1NAPHTHALEN1YL5((2(137TRIMETHYL26DIOXOPURIN8YL)HYDRAZINYL)METHYLIDENE)13DIAZINANE246TRIONE
CN1C2=C(N=C1NNC=C3C(=O)NC(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C
InChI=1SC23H20N8O5c1281617(29(2)23(36)30(3)20(16)34)2521(28)2724111418(32)2622(35)31(19(14)33)15106812745913(12)15h41124H13H3(H2527)(H263235)b1411+
MFCD18249682
O=C1N=C((O))C(=CNNc2(nH+)c3c(n2C)c(=O)n(c(=O)n3C)C)C(=O)N1c1cccc2c1cccc2
ZINC000009329295
ZINC9329295
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