Vitas-M small molecule compound

8-(butylsulfanyl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK055153
SMILES CCCCSc1nc2c(n1CCc1ccccc1)c(=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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-3-4-12-25-18-19-15-14(16(23)20-17(24)21(15)2)22(18)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,20,23,24)
InChIKey
YNJCWZDELXMWRQ-UHFFFAOYSA-N
Synonyms
332149-67-4
332149674
8(BUTYLSULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
8(BUTYLTHIO)3METHYL7PHENETHYL1HPURINE26(3H7H)DIONE
8butylsulfanyl3methyl7(2phenylethyl)purine26dione
8BUTYLSULFANYL3METHYL7PHENETHYLPURINE26DIONE
CCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC18H22N4O2Sc134122518191514(16(23)2017(24)21(15)2)22(18)1110138657913h59H341012H212H3(H202324)
MFCD01142766
STK055153
ZINC000002475339
ZINC02475339
ZINC2475339

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Available files

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