Vitas-M small molecule compound
7-(3-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK939729
SMILES CC(Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)Cl)c(n2)n1nc(cc1C)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 C22H25ClN6O2 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN6O2/c1-13(2)11-28-20(30)18-19(26(5)22(28)31)24-21(29-15(4)9-14(3)25-29)27(18)12-16-7-6-8-17(23)10-16/h6-10,13H,11-12H2,1-5H3InChIKey
JSJJXXLAEXTGMN-UHFFFAOYSA-NSynonyms
1013991-46-21013991462
7((3chlorophenyl)methyl)8(35dimethylpyrazol1yl)3methyl1(2methylpropyl)purine26dione
7(3CHLOROBENZYL)8(35DIMETHYL1HPYRAZOL1YL)1ISOBUTYL3METHYL1HPURINE26(3H7H)DIONE
7(3chlorobenzyl)8(35dimethyl1Hpyrazol1yl)3methyl1(2methylpropyl)37dihydro1Hpurine26dione
CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)CC(C)C)C
InChI=1SC22H25ClN6O2c113(2)112820(30)1819(26(5)22(28)31)2421(2915(4)914(3)2529)27(18)121676817(23)1016h61013H1112H215H3
MFCD09978150
ZINC000012231785
ZINC12231785
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