Vitas-M small molecule compound
8-(2-{(Z)-[1-(3,4-dimethylphenyl)-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
STL039357
SMILES O=C1N=C(O)/C(=C/NNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)/C(=O)N1c1ccc(c(c1)C)C
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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 C21H22N8O5 MW 466.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N8O5/c1-10-6-7-12(8-11(10)2)29-17(31)13(16(30)24-20(29)33)9-22-25-19-23-15-14(26(19)3)18(32)28(5)21(34)27(15)4/h6-9,22H,1-5H3,(H,23,25)(H,24,30,33)/b13-9-InChIKey
LUTRDSWEYMFYJH-LCYFTJDESA-NSynonyms
(5Z)1(34DIMETHYLPHENYL)5((2(137TRIMETHYL26DIOXOPURIN8YL)HYDRAZINYL)METHYLIDENE)13DIAZINANE246TRIONE
8(2((Z)(1(34dimethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
CC1=C(C=C(C=C1)N2C(=O)C(=CNNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C(=O)NC2=O)C
InChI=1SC21H22N8O5c1106712(811(10)2)2917(31)13(16(30)2420(29)33)9222519231514(26(19)3)18(32)28(5)21(34)27(15)4h6922H15H3(H2325)(H243033)b139
MFCD04075443
O=C1N=C(O)C(=CNNc2nc3c(n2C)c(=O)n(c(=O)n3C)C)C(=O)N1c1ccc(c(c1)C)C
ZINC000009192441
ZINC09192441
ZINC17195423
ZINC9192441
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