Vitas-M small molecule compound

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

Catalog ID
STK016124
SMILES Clc1ccccc1Cn1c(=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/c1-13-9-10-16(11-14(13)2)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-7-5-6-8-17(15)23/h5-11H,12H2,1-4H3
InChIKey
HXQZMXAPDUPSJT-UHFFFAOYSA-N
Synonyms
370075-31-3
1((2CHLOROPHENYL)METHYL)8(34DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(2chlorobenzyl)8(34dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1(2CHLOROBENZYL)8(34DIMETHYLPHENOXY)37DIMETHYL37DIHYDRO1HPURINE26DIONE
370075313
CC1=C(C=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C
Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1ccc(c(c1)C)C
InChI=1SC22H21ClN4O3c11391016(1114(13)2)3021241918(25(21)3)20(28)27(22(29)26(19)4)1215756817(15)23h511H12H214H3
MFCD01555587
STK016124
ZINC000008606329
ZINC08606329
ZINC8606329

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Available files

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