Vitas-M small molecule compound

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

Catalog ID
STK697871
SMILES Clc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1ccc(c(c1)C)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 C22H21ClN4O3 MW 424.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3/c1-13-8-9-17(10-14(13)2)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-6-5-7-16(23)11-15/h5-11H,12H2,1-4H3
InChIKey
UUADUNPAJPPKQW-UHFFFAOYSA-N
Synonyms
368840-73-7
1((3CHLOROPHENYL)METHYL)8(34DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(3chlorobenzyl)8(34dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1(3chlorobenzyl)8(34dimethylphenoxy)37dimethyl37dihydro1Hpurine26dione
368840737
CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=CC=C4)Cl)C
InChI=1SC22H21ClN4O3c1138917(1014(13)2)3021241918(25(21)3)20(28)27(22(29)26(19)4)121565716(23)1115h511H12H214H3
MFCD01555053
ZINC000008934405
ZINC08934405
ZINC8934405

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Available files

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