Vitas-M small molecule compound
8-(2-{(Z)-[1-(2-ethoxyphenyl)-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
STL039439
SMILES CCOc1ccccc1N1C(=O)N=C(/C(=C/NNc2nc3c(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 C21H22N8O6 MW 482.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N8O6/c1-5-35-13-9-7-6-8-12(13)29-17(31)11(16(30)24-20(29)33)10-22-25-19-23-15-14(26(19)2)18(32)28(4)21(34)27(15)3/h6-10,22H,5H2,1-4H3,(H,23,25)(H,24,30,33)/b11-10-InChIKey
JKQPWBYLVPTGNI-KHPPLWFESA-NSynonyms
(5Z)1(2ETHOXYPHENYL)5((2(137TRIMETHYL26DIOXOPURIN8YL)HYDRAZINYL)METHYLIDENE)13DIAZINANE246TRIONE
8(2((Z)(1(2ethoxyphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
CCOC1=CC=CC=C1N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=O
CCOc1ccccc1N1C(=O)N=C(C(=CNNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)C1=O)O
InChI=1SC21H22N8O6c153513976812(13)2917(31)11(16(30)2420(29)33)10222519231514(26(19)2)18(32)28(4)21(34)27(15)3h61022H5H214H3(H2325)(H243033)b1110
MFCD04081566
ZINC000009157981
ZINC09157981
ZINC17197604
ZINC9157981
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