Vitas-M small molecule compound

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

Catalog ID
STK805804
SMILES CCCCCn1c(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 C18H21ClN4O2S MW 392.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O2S/c1-3-4-5-10-23-14-15(22(2)17(25)21-16(14)24)20-18(23)26-11-12-6-8-13(19)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,21,24,25)
InChIKey
MXYNGUFQAVBLIJ-UHFFFAOYSA-N
Synonyms
327168-70-7
327168707
8((4chlorobenzyl)sulfanyl)3methyl7pentyl37dihydro1Hpurine26dione
8((4chlorobenzyl)thio)3methyl7pentyl1Hpurine26(3H7H)dione
8((4CHLOROPHENYL)METHYLSULFANYL)3METHYL7PENTYLPURINE26DIONE
8((4CHLOROPHENYL)METHYLTHIO)3METHYL7PENTYL137TRIHYDROPURINE26DIONE
8(4CHLOROBENZYLSULFANYL)3METHYL7PENTYL37DIHYDROPURINE26DIONE
CCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC18H21ClN4O2Sc134510231415(22(2)17(25)2116(14)24)2018(23)2611126813(19)9712h69H351011H212H3(H212425)
MFCD01051762
ZINC000002070777
ZINC02070777
ZINC2070777

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Available files

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