Vitas-M small molecule compound

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

Catalog ID
STK010983
SMILES COc1ccc(cc1)Cn1c(Oc2ccc(c(c2)C)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 C23H24N4O4 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4/c1-14-6-9-18(12-15(14)2)31-22-24-20-19(21(28)26(4)23(29)25(20)3)27(22)13-16-7-10-17(30-5)11-8-16/h6-12H,13H2,1-5H3
InChIKey
CQFOCSJQUTUCIW-UHFFFAOYSA-N
Synonyms
364623-95-0
364623950
8(34DIMETHYLPHENOXY)7((4METHOXYPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(34dimethylphenoxy)7(4methoxybenzyl)13dimethyl1Hpurine26(3H7H)dione
8(34DIMETHYLPHENOXY)7(4METHOXYBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)C
COc1ccc(cc1)Cn1c(Oc2ccc(c(c2)C)C)nc2c1c(=O)n(C)c(=O)n2C
InChI=1SC23H24N4O4c1146918(1215(14)2)3122242019(21(28)26(4)23(29)25(20)3)27(22)131671017(305)11816h612H13H215H3
MFCD01564707
STK010983
ZINC000000789678
ZINC00789678
ZINC789678

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Available files

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