Vitas-M small molecule compound

7-(4-methoxybenzyl)-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK004528
SMILES COc1ccc(cc1)Cn1c(Oc2cccc(c2)C)nc2c1c(=O)n(C)c(=O)n2C

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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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c1-14-6-5-7-17(12-14)30-21-23-19-18(20(27)25(3)22(28)24(19)2)26(21)13-15-8-10-16(29-4)11-9-15/h5-12H,13H2,1-4H3
InChIKey
LKAVSTPLJNRWOL-UHFFFAOYSA-N
Synonyms
359690-88-3
359690883
7((4METHOXYPHENYL)METHYL)13DIMETHYL8(3METHYLPHENOXY)PURINE26DIONE
7(4METHOXYBENZYL)13DIMETHYL8(3METHYLPHENOXY)37DIHYDRO1HPURINE26DIONE
7(4methoxybenzyl)13dimethyl8(mtolyloxy)1Hpurine26(3H7H)dione
CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C
COc1ccc(cc1)Cn1c(Oc2cccc(c2)C)nc2c1c(=O)n(C)c(=O)n2C
InChI=1SC22H22N4O4c11465717(1214)3021231918(20(27)25(3)22(28)24(19)2)26(21)131581016(294)11915h512H13H214H3
MFCD01563039
STK004528
ZINC000004549873
ZINC04549873
ZINC4549873

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Available files

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