Vitas-M small molecule compound
7-(3-chlorobenzyl)-8-[(2-chloro-4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL508276
SMILES Fc1ccc(c(c1)Cl)CSc1nc2c(n1Cc1cccc(c1)Cl)c(=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 C21H17Cl2FN4O2S MW 479.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-4-3-5-14(22)8-12)20(25-18)31-11-13-6-7-15(24)9-16(13)23/h3-9H,10-11H2,1-2H3InChIKey
LVKNPZZGFKKQEB-UHFFFAOYSA-NSynonyms
5080903
7(3chlorobenzyl)8((2chloro4fluorobenzyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
7(3CHLOROBENZYL)8((2CHLORO4FLUOROBENZYL)THIO)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((2CHLORO4FLUOROPHENYL)METHYLSULFANYL)7((3CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
InChI=1SC21H17Cl2FN4O2Sc1261817(19(29)27(2)21(26)30)28(101243514(22)812)20(2518)3111136715(24)916(13)23h39H1011H212H3
MFCD02953977
ZINC000008426044
ZINC8426044
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