Vitas-M small molecule compound

6-hydroxy-3-methyl-8-[(2-methylpropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STK640510
SMILES C=CCn1c(SCC(C)C)nc2c1c(O)nc(=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 C13H18N4O2S MW 294.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O2S/c1-5-6-17-9-10(14-13(17)20-7-8(2)3)16(4)12(19)15-11(9)18/h5,8H,1,6-7H2,2-4H3,(H,15,18,19)
InChIKey
JRUQOWOCAZZWLK-UHFFFAOYSA-N
Synonyms
316361-87-2
3METHYL8(2METHYLPROPYLSULFANYL)7PROP2ENYLPURINE26DIONE
3METHYL8(2METHYLPROPYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
6hydroxy3methyl8((2methylpropyl)sulfanyl)7(prop2en1yl)37dihydro2Hpurin2one
7ALLYL8(ISOBUTYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
7ALLYL8ISOBUTYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
MFCD07204932
ZINC000000327185
ZINC00327185
ZINC327185

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Available files

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