Vitas-M small molecule compound
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK580733
SMILES OCCCn1c(CN2CCN(CC2)c2ccccc2F)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 C21H27FN6O3 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN6O3/c1-24-19-18(20(30)25(2)21(24)31)28(8-5-13-29)17(23-19)14-26-9-11-27(12-10-26)16-7-4-3-6-15(16)22/h3-4,6-7,29H,5,8-14H2,1-2H3InChIKey
MSAYRXJUSSUIPA-UHFFFAOYSA-NSynonyms
851941-52-18((4(2fluorophenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl1Hpurine26(3H7H)dione
8((4(2fluorophenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl37dihydro1Hpurine26dione
8((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)7(3HYDROXYPROPYL)13DIMETHYLPURINE26DIONE
8((4(2FLUOROPHENYL)PIPERAZINYL)METHYL)7(3HYDROXYPROPYL)13DIMETHYL137TRIHYDROPURINE26DIONE
851941521
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CCCO
InChI=1SC21H27FN6O3c1241918(20(30)25(2)21(24)31)28(851329)17(2319)142691127(121026)16743615(16)22h346729H5814H212H3
MFCD04466638
ZINC000057105701
ZINC57105701
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