Vitas-M small molecule compound

8-(2-{(Z)-[4-hydroxy-1-(2-methylphenyl)-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
STK564371
SMILES O=C1N=C(O)/C(=C/NNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)/C(=O)N1c1ccccc1C

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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 C20H20N8O5 MW 452.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N8O5/c1-10-7-5-6-8-12(10)28-16(30)11(15(29)23-19(28)32)9-21-24-18-22-14-13(25(18)2)17(31)27(4)20(33)26(14)3/h5-9,21H,1-4H3,(H,22,24)(H,23,29,32)/b11-9-
InChIKey
HMGVNFPMWWIASU-LUAWRHEFSA-N
Synonyms

(5Z)1(2METHYLPHENYL)5((2(137TRIMETHYL26DIOXOPURIN8YL)HYDRAZINYL)METHYLIDENE)13DIAZINANE246TRIONE
8(2((Z)(4hydroxy1(2methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
CC1=CC=CC=C1N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=O
InChI=1SC20H20N8O5c110756812(10)2816(30)11(15(29)2319(28)32)9212418221413(25(18)2)17(31)27(4)20(33)26(14)3h5921H14H3(H2224)(H232932)b119
MFCD04075037
O=C1N=C(O)C(=CNNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)C(=O)N1c1ccccc1C
ZINC000009209412
ZINC09209412
ZINC17195310
ZINC9209412

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Available files

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