Vitas-M small molecule compound
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK588979
SMILES Cc1ccc(cc1)Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=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 C26H29FN6O2 MW 476.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN6O2/c1-18-4-6-19(7-5-18)16-33-22(28-24-23(33)25(34)30(3)26(35)29(24)2)17-31-12-14-32(15-13-31)21-10-8-20(27)9-11-21/h4-11H,12-17H2,1-3H3InChIKey
NVVRBBNEIMBSSU-UHFFFAOYSA-NSynonyms
851939-29-28((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
851939292
CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=C(C=C5)F
InChI=1SC26H29FN6O2c1184619(7518)163322(282423(33)25(34)30(3)26(35)29(24)2)1731121432(151331)2110820(27)91121h411H1217H213H3
MFCD04466426
ZINC000057010881
ZINC57010881
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