Vitas-M small molecule compound
7-benzyl-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK697808
SMILES COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)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 C22H22N6O3 MW 418.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O3/c1-26-19-18(20(29)27(2)22(26)30)28(14-16-7-5-4-6-8-16)21(24-19)25-23-13-15-9-11-17(31-3)12-10-15/h4-13H,14H2,1-3H3,(H,24,25)/b23-13+InChIKey
CDWNIZAKPKFQGO-YDZHTSKRSA-NSynonyms
(E)7benzyl8(2(4methoxybenzylidene)hydrazinyl)13dimethyl1Hpurine26(3H7H)dione
7benzyl8((2E)2((4methoxyphenyl)methylidene)hydrazinyl)13dimethylpurine26dione
7benzyl8((2E)2(4methoxybenzylidene)hydrazinyl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC4=CC=CC=C4
COc1ccc(cc1)C=NNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C
InChI=1SC22H22N6O3c1261918(20(29)27(2)22(26)30)28(14167546816)21(2419)2523131591117(313)121015h413H14H213H3(H2425)b2313+
MFCD01960148
ZINC000004527929
ZINC33385135
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