Vitas-M small molecule compound

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

Catalog ID
STK596711
SMILES CCCCCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)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 C25H36N6O3 MW 468.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N6O3/c1-5-6-7-8-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)18-29-14-16-30(17-15-29)19-9-11-20(34-4)12-10-19/h9-12H,5-8,13-18H2,1-4H3
InChIKey
IJOUSOKXPSAZPX-UHFFFAOYSA-N
Synonyms
851942-14-8
7hexyl8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7hexyl8((4(4methoxyphenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
7HEXYL8((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7HEXYL8((4(4METHOXYPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
851942148
CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC
InChI=1SC25H36N6O3c15678133121(262322(31)24(32)28(3)25(33)27(23)2)1829141630(171529)1991120(344)121019h912H581318H214H3
MFCD04466703
ZINC000057010967
ZINC57010967

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Available files

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