Vitas-M small molecule compound

7-benzyl-3-methyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840485
SMILES CC(=C)CSc1nc2c(n1Cc1ccccc1)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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-11(2)10-24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,19,22,23)
InChIKey
ULUBOWWPZXFXIV-UHFFFAOYSA-N
Synonyms
377068-93-4
377068934
3METHYL8(2METHYLPROP2ENYLTHIO)7BENZYL137TRIHYDROPURINE26DIONE
7BENZYL3METHYL8((2METHYLALLYL)THIO)1HPURINE26(3H7H)DIONE
7benzyl3methyl8((2methylprop2en1yl)sulfanyl)37dihydro1Hpurine26dione
7BENZYL3METHYL8(2METHYLALLYLSULFANYL)37DIHYDROPURINE26DIONE
7BENZYL3METHYL8(2METHYLPROP2ENYLSULFANYL)PURINE26DIONE
CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C
CC(=C)CSc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC17H18N4O2Sc111(2)102417181413(15(22)1916(23)20(14)3)21(17)9127546812h48H1910H223H3(H192223)
MFCD02983988
ZINC000000079523
ZINC00079523
ZINC79523

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Available files

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