Vitas-M small molecule compound

8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK592498
SMILES COCCn1c(CN2CCC(CC2)Cc2ccccc2)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 C23H31N5O3 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O3/c1-25-21-20(22(29)26(2)23(25)30)28(13-14-31-3)19(24-21)16-27-11-9-18(10-12-27)15-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3
InChIKey
GSEWPGJRDKBOOP-UHFFFAOYSA-N
Synonyms
838890-53-2
7(2METHOXYETHYL)13DIMETHYL8((4(PHENYLMETHYL)1PIPERIDINYL)METHYL)PURINE26DIONE
7(2METHOXYETHYL)13DIMETHYL8((4(PHENYLMETHYL)PIPERIDIN1YL)METHYL)PURINE26DIONE
7(2METHOXYETHYL)13DIMETHYL8((4BENZYLPIPERIDYL)METHYL)137TRIHYDROPURINE26DIONE
8((4benzylpiperidin1yl)methyl)7(2methoxyethyl)13dimethyl1Hpurine26(3H7H)dione
8((4benzylpiperidin1yl)methyl)7(2methoxyethyl)13dimethyl37dihydro1Hpurine26dione
8((4BENZYLPIPERIDIN1YL)METHYL)7(2METHOXYETHYL)13DIMETHYLPURINE26DIONE
8((4BENZYLPIPERIDINO)METHYL)7(2METHOXYETHYL)13DIMETHYLXANTHINE
838890532
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CCOC
InChI=1SC23H31N5O3c1252120(22(29)26(2)23(25)30)28(1314313)19(2421)162711918(101227)15177546817h4818H916H213H3
MFCD04466592
ZINC000002347378
ZINC2347378

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.