Vitas-M small molecule compound

7-butyl-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL004758
SMILES CCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C

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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 C17H19ClN4O2S MW 378.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-7-5-6-8-12(11)18/h5-8H,3-4,9-10H2,1-2H3,(H,20,23,24)
InChIKey
JNFINTAOXOVXES-UHFFFAOYSA-N
Synonyms
332103-34-1
332103341
7butyl8((2chlorobenzyl)sulfanyl)3methyl37dihydro1Hpurine26dione
CCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)(nH)c(=O)n2C
MFCD01880062
ZINC000002063827

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.