Vitas-M small molecule compound

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

Catalog ID
STK003884
SMILES CC(CSc1nc2c(n1Cc1ccc(cc1)C)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/c1-11(2)10-25-18-19-15-14(16(23)20-17(24)21(15)4)22(18)9-13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,20,23,24)
InChIKey
WNNVCUBRMUPPQE-UHFFFAOYSA-N
Synonyms
303969-99-5
303969995
3METHYL7((4METHYLPHENYL)METHYL)8(2METHYLPROPYLSULFANYL)PURINE26DIONE
3METHYL7((4METHYLPHENYL)METHYL)8(2METHYLPROPYLTHIO)PURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2METHYLPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
6HYDROXY3METHYL7(4METHYLBENZYL)8((2METHYLPROPYL)SULFANYL)37DIHYDRO2HPURIN2ONE
8(ISOBUTYLTHIO)3METHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(ISOBUTYLTHIO)3METHYL7(4METHYLBENZYL)XANTHINE
8ISOBUTYLSULFANYL3METHYL7(4METHYLBENZYL)37DIHYDROPURINE26DIONE
CC(CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C)C
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(C)C)N(C(=O)NC3=O)C
InChI=1SC18H22N4O2Sc111(2)102518191514(16(23)2017(24)21(15)4)22(18)9137512(3)6813h5811H910H214H3(H202324)
MFCD01553848
STK003884
ZINC00709343
ZINC709343

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Available files

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