Vitas-M small molecule compound
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK586080
SMILES CC(Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)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 C22H29FN6O2 MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29FN6O2/c1-15(2)13-29-18(24-20-19(29)21(30)26(4)22(31)25(20)3)14-27-9-11-28(12-10-27)17-7-5-16(23)6-8-17/h5-8,15H,9-14H2,1-4H3InChIKey
PBCMMFKLYBDQPX-UHFFFAOYSA-NSynonyms
851941-71-48((4(4fluorophenyl)piperazin1yl)methyl)13dimethyl7(2methylpropyl)37dihydro1Hpurine26dione
8((4(4FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(2METHYLPROPYL)PURINE26DIONE
8((4(4fluorophenyl)piperazin1yl)methyl)7isobutyl13dimethyl1Hpurine26(3H7H)dione
8((4(4FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(2METHYLPROPYL)137TRIHYDROPURINE26DIONE
851941714
CC(C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)F
InChI=1SC22H29FN6O2c115(2)132918(242019(29)21(30)26(4)22(31)25(20)3)142791128(121027)177516(23)6817h5815H914H214H3
MFCD04466659
ZINC000013540106
ZINC13540106
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