Vitas-M small molecule compound

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

Catalog ID
STK029973
SMILES CCC(Sc1nc2c(n1CCc1ccccc1)c(=O)[nH]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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-4-12(2)25-18-19-15-14(16(23)20-17(24)21(15)3)22(18)11-10-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,20,23,24)
InChIKey
ILMLXMAXMCPEOZ-UHFFFAOYSA-N
Synonyms
332149-68-5
332149685
8(BUTAN2YLSULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
8(SECBUTYLTHIO)3METHYL7PHENETHYL1HPURINE26(3H7H)DIONE
8butan2ylsulfanyl3methyl7(2phenylethyl)purine26dione
8BUTAN2YLSULFANYL3METHYL7PHENETHYLPURINE26DIONE
8SECBUTYLSULFANYL3METHYL7PHENETHYL37DIHYDROPURINE26DIONE
CCC(C)SC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
CCC(Sc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C)C
InChI=1SC18H22N4O2Sc1412(2)2518191514(16(23)2017(24)21(15)3)22(18)1110138657913h5912H41011H213H3(H202324)
MFCD01142768
STK029973
ZINC000000629668
ZINC000000827960

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Available files

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