Vitas-M small molecule compound

1-benzyl-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK049465
SMILES Clc1c(C)cc(cc1C)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1

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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 C22H21ClN4O3 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3/c1-13-10-16(11-14(2)17(13)23)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3
InChIKey
GOZRFQUGAUVHRN-UHFFFAOYSA-N
Synonyms
317844-58-9
1benzyl8(4chloro35dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1BENZYL8(4CHLORO35DIMETHYLPHENOXY)37DIMETHYL37DIHYDRO1HPURINE26DIONE
1BENZYL8(4CHLORO35DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
317844589
CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4
Clc1c(C)cc(cc1C)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1
InChI=1SC22H21ClN4O3c1131016(1114(2)17(13)23)3021241918(25(21)3)20(28)27(22(29)26(19)4)12158657915h511H12H214H3
MFCD01556534
STK049465
ZINC000008934460
ZINC08934460
ZINC8934460

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Available files

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