Vitas-M small molecule compound

1,3-dimethyl-7-(3-methylbenzyl)-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK591697
SMILES Cc1cccc(c1)Cn1c(CN2CCCCC2C)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 C22H29N5O2 MW 395.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2/c1-15-8-7-10-17(12-15)13-27-18(14-26-11-6-5-9-16(26)2)23-20-19(27)21(28)25(4)22(29)24(20)3/h7-8,10,12,16H,5-6,9,11,13-14H2,1-4H3
InChIKey
VSJXBVQTBZGVPQ-UHFFFAOYSA-N
Synonyms
838900-57-5
13DIMETHYL7((3METHYLPHENYL)METHYL)8((2METHYLPIPERIDIN1YL)METHYL)PURINE26DIONE
13DIMETHYL7((3METHYLPHENYL)METHYL)8((2METHYLPIPERIDYL)METHYL)137TRIHYDROPURINE26DIONE
13dimethyl7(3methylbenzyl)8((2methylpiperidin1yl)methyl)1Hpurine26(3H7H)dione
13dimethyl7(3methylbenzyl)8((2methylpiperidin1yl)methyl)37dihydro1Hpurine26dione
838900575
CC1CCCCN1CC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C
InChI=1SC22H29N5O2c115871017(1215)132718(14261165916(26)2)232019(27)21(28)25(4)22(29)24(20)3h78101216H569111314H214H3
MFCD04466370
ZINC000006199735
ZINC000006199736

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Available files

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