Vitas-M small molecule compound

7-butyl-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK054745
SMILES CCCCn1c(SCc2ccc(cc2)Cl)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)25-10-11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,23,24)
InChIKey
XHQGWAMBEYYCGZ-UHFFFAOYSA-N
Synonyms
303968-77-6
303968776
7BUTYL8((4CHLOROBENZYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7butyl8((4chlorobenzyl)thio)3methyl1Hpurine26(3H7H)dione
7BUTYL8((4CHLOROBENZYL)THIO)3METHYLXANTHINE
7BUTYL8((4CHLOROPHENYL)METHYLSULFANYL)3METHYLPURINE26DIONE
7BUTYL8((4CHLOROPHENYL)METHYLTHIO)3METHYLPURINE26DIONE
7BUTYL8(4CHLOROBENZYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
CCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC17H19ClN4O2Sc1349221314(21(2)16(24)2015(13)23)1917(22)2510115712(18)8611h58H34910H212H3(H202324)
MFCD01553903
STK054745
ZINC000013116490
ZINC13116490

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Available files

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