Vitas-M small molecule compound
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK593748
SMILES COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)C)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 C27H32N6O3 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O3/c1-19-5-7-20(8-6-19)17-33-23(28-25-24(33)26(34)30(3)27(35)29(25)2)18-31-13-15-32(16-14-31)21-9-11-22(36-4)12-10-21/h5-12H,13-18H2,1-4H3InChIKey
NBABQGCZEPIXGS-UHFFFAOYSA-NSynonyms
851939-30-58((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((4(4METHOXYPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
851939305
CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)OC
InChI=1SC27H32N6O3c1195720(8619)173323(282524(33)26(34)30(3)27(35)29(25)2)1831131532(161431)2191122(364)121021h512H1318H214H3
MFCD04466427
ZINC000057010884
ZINC57010884
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