Vitas-M small molecule compound

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK592802
SMILES OCCCn1c(CN2CCN(CC2)c2cccc(c2)Cl)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 C21H27ClN6O3 MW 446.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O3/c1-24-19-18(20(30)25(2)21(24)31)28(7-4-12-29)17(23-19)14-26-8-10-27(11-9-26)16-6-3-5-15(22)13-16/h3,5-6,13,29H,4,7-12,14H2,1-2H3
InChIKey
PYWKUWYGUHYCHO-UHFFFAOYSA-N
Synonyms
851941-51-0
8((4(3chlorophenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl1Hpurine26(3H7H)dione
8((4(3chlorophenyl)piperazin1yl)methyl)7(3hydroxypropyl)13dimethyl37dihydro1Hpurine26dione
8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)7(3HYDROXYPROPYL)13DIMETHYLPURINE26DIONE
8((4(3CHLOROPHENYL)PIPERAZINYL)METHYL)7(3HYDROXYPROPYL)13DIMETHYL137TRIHYDROPURINE26DIONE
851941510
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CCCO
InChI=1SC21H27ClN6O3c1241918(20(30)25(2)21(24)31)28(741229)17(2319)142681027(11926)1663515(22)1316h3561329H471214H212H3
MFCD04466637
ZINC000057122043
ZINC57122043

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Available files

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