Vitas-M small molecule compound

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

Catalog ID
STK033963
SMILES Clc1cccc(c1Cn1c(Oc2ccc(c(c2)C)C)nc2c1c(=O)n(c(=O)n2C)C)Cl

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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 C22H20Cl2N4O3 MW 459.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl2N4O3/c1-12-8-9-14(10-13(12)2)31-21-25-19-18(20(29)27(4)22(30)26(19)3)28(21)11-15-16(23)6-5-7-17(15)24/h5-10H,11H2,1-4H3
InChIKey
DXJKHWBDMFPWBJ-UHFFFAOYSA-N
Synonyms
359711-59-4
359711594
7((26DICHLOROPHENYL)METHYL)8(34DIMETHYLPHENOXY)13DIMETHYLPURINE26DIONE
7(26dichlorobenzyl)8(34dimethylphenoxy)13dimethyl1Hpurine26(3H7H)dione
7(26DICHLOROBENZYL)8(34DIMETHYLPHENOXY)13DIMETHYL37DIHYDRO1HPURINE26DIONE
CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=C(C=CC=C4Cl)Cl)C(=O)N(C(=O)N3C)C)C
Clc1cccc(c1Cn1c(Oc2ccc(c(c2)C)C)nc2c1c(=O)n(c(=O)n2C)C)Cl
InChI=1SC22H20Cl2N4O3c1128914(1013(12)2)3121251918(20(29)27(4)22(30)26(19)3)28(21)111516(23)65717(15)24h510H11H214H3
MFCD01555816
STK033963
ZINC000008934200
ZINC08934200
ZINC8934200

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Available files

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