Vitas-M small molecule compound
1-benzyl-3,7-dimethyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK697837
SMILES Cc1ccc(cc1)/C=N/Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1
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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 C22H22N6O2 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2/c1-15-9-11-16(12-10-15)13-23-25-21-24-19-18(26(21)2)20(29)28(22(30)27(19)3)14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,25)/b23-13+InChIKey
NUNJRGDYETWMRC-YDZHTSKRSA-NSynonyms
(E)1benzyl37dimethyl8(2(4methylbenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
1benzyl37dimethyl8((2E)2((4methylphenyl)methylidene)hydrazinyl)purine26dione
1benzyl37dimethyl8((2E)2(4methylbenzylidene)hydrazinyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)C=NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4
Cc1ccc(cc1)C=NNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1
InChI=1SC22H22N6O2c11591116(121015)13232521241918(26(21)2)20(29)28(22(30)27(19)3)14177546817h413H14H213H3(H2425)b2313+
MFCD02989902
ZINC000004813253
ZINC33905488
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