Vitas-M small molecule compound

8-(butylsulfanyl)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK558147
SMILES CCCCSc1nc2c(n1Cc1ccc(cc1)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 C18H21ClN4O2S MW 392.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O2S/c1-4-5-10-26-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)11-12-6-8-13(19)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKey
GASHPTSWRDVYFB-UHFFFAOYSA-N
Synonyms
536719-36-5
536719365
8(butylsulfanyl)7(4chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(butylthio)7(4chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8BUTYLSULFANYL7((4CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C
InChI=1SC18H21ClN4O2Sc145102617201514(16(24)22(3)18(25)21(15)2)23(17)11126813(19)9712h69H451011H213H3
MFCD03417529
ZINC000013750706
ZINC13750706

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Available files

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