Vitas-M small molecule compound
1,3-dimethyl-7-(2-methylbenzyl)-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK228695
SMILES Cc1cccc(c1)Oc1nc2c(n1Cc1ccccc1C)c(=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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-14-8-7-11-17(12-14)29-21-23-19-18(20(27)25(4)22(28)24(19)3)26(21)13-16-10-6-5-9-15(16)2/h5-12H,13H2,1-4H3InChIKey
PMTHYOWGEIMWKZ-UHFFFAOYSA-NSynonyms
13DIMETHYL7(2METHYLBENZYL)8(3METHYLPHENOXY)37DIHYDRO1HPURINE26DIONE
13DIMETHYL8(3METHYLPHENOXY)7((2METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)N(C(=O)N3C)C
InChI=1SC22H22N4O3c114871117(1214)2921231918(20(27)25(4)22(28)24(19)3)26(21)13161065915(16)2h512H13H214H3
MFCD08673591
ZINC000004734466
ZINC04734466
ZINC4734466
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