Vitas-M small molecule compound
7-benzyl-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804488
SMILES C#CCOc1nc2c(n1Cc1ccccc1)c(=O)n(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 C17H16N4O3 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3/c1-4-10-24-16-18-14-13(15(22)20(3)17(23)19(14)2)21(16)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3InChIKey
VBJQUJLGWJDVMS-UHFFFAOYSA-NSynonyms
304871-46-3304871463
7benzyl13dimethyl8(prop2yn1yloxy)1Hpurine26(3H7H)dione
7benzyl13dimethyl8(prop2yn1yloxy)37dihydro1Hpurine26dione
7BENZYL13DIMETHYL8PROP2YNOXYPURINE26DIONE
7BENZYL13DIMETHYL8PROP2YNYLOXY37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=CC=CC=C3
InChI=1SC17H16N4O3c14102416181413(15(22)20(3)17(23)19(14)2)21(16)11128657912h159H1011H223H3
MFCD01553120
ZINC000013133084
ZINC13133084
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