Vitas-M small molecule compound

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

Catalog ID
STK839793
SMILES Clc1ccccc1Cn1c(SCc2c(F)cccc2Cl)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 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(10-12-6-3-4-7-14(12)22)20(25-18)31-11-13-15(23)8-5-9-16(13)24/h3-9H,10-11H2,1-2H3
InChIKey
SMIULANCHDXTIR-UHFFFAOYSA-N
Synonyms
377068-58-1
377068581
7(2chlorobenzyl)8((2chloro6fluorobenzyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
8((2chloro6fluorobenzyl)thio)7(2chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)7((2CHLOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4Cl
InChI=1SC21H17Cl2FN4O2Sc1261817(19(29)27(2)21(26)30)28(1012634714(12)22)20(2518)31111315(23)85916(13)24h39H1011H212H3
MFCD02983959
ZINC000000629288
ZINC00629288
ZINC629288

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Available files

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