Vitas-M small molecule compound
8-[(2-chlorobenzyl)sulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840589
SMILES Cc1cccc(c1)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)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 C22H21ClN4O2S MW 440.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O2S/c1-14-7-6-8-15(11-14)12-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-13-16-9-4-5-10-17(16)23/h4-11H,12-13H2,1-3H3InChIKey
MKCBXOVXKPYFOO-UHFFFAOYSA-NSynonyms
377062-00-5377062005
8((2chlorobenzyl)sulfanyl)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2CHLOROBENZYL)THIO)13DIMETHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8((2CHLOROPHENYL)METHYLSULFANYL)13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8((2CHLOROPHENYL)METHYLTHIO)13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC=C4Cl)N(C(=O)N(C3=O)C)C
InChI=1SC22H21ClN4O2Sc11476815(1114)12271819(25(2)22(29)26(3)20(18)28)2421(27)3013169451017(16)23h411H1213H213H3
MFCD02983752
ZINC000000638018
ZINC00638018
ZINC638018
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