Vitas-M small molecule compound

7-(3,4-dichlorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK742859
SMILES Fc1ccccc1CSc1nc2c(n1Cc1ccc(c(c1)Cl)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(10-12-7-8-14(22)15(23)9-12)20(25-18)31-11-13-5-3-4-6-16(13)24/h3-9H,10-11H2,1-2H3
InChIKey
IMKHNPOVLREFSH-UHFFFAOYSA-N
Synonyms

7((34DICHLOROPHENYL)METHYL)8((2FLUOROPHENYL)METHYLSULFANYL)13DIMETHYLPURINE26DIONE
7(34dichlorobenzyl)8((2fluorobenzyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H17Cl2FN4O2Sc1261817(19(29)27(2)21(26)30)28(10127814(22)15(23)912)20(2518)311113534616(13)24h39H1011H212H3
MFCD02327170
ZINC000000693179
ZINC00693179
ZINC693179

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Available files

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