Vitas-M small molecule compound

1,3-dimethyl-7-(3-methylbenzyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK838116
SMILES Cc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

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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 C19H23N5O2 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O2/c1-13-7-6-8-14(11-13)12-24-15-16(20-18(24)23-9-4-5-10-23)21(2)19(26)22(3)17(15)25/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKey
LBERHPHYAKJCCH-UHFFFAOYSA-N
Synonyms
361174-72-3
13DIMETHYL7((3METHYLPHENYL)METHYL)8PYRROLIDIN1YLPURINE26DIONE
13DIMETHYL7((3METHYLPHENYL)METHYL)8PYRROLIDINYL137TRIHYDROPURINE26DIONE
13DIMETHYL7(3METHYLBENZYL)8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
13dimethyl7(3methylbenzyl)8(pyrrolidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(3METHYLBENZYL)8PYRROLIDIN1YL37DIHYDROPURINE26DIONE
361174723
CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC19H23N5O2c11376814(1113)12241516(2018(24)239451023)21(2)19(26)22(3)17(15)25h6811H4591012H213H3
MFCD02736155
ZINC000000624663
ZINC00624663
ZINC624663

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Available files

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