Vitas-M small molecule compound
8-(1,3-benzodioxol-5-yloxy)-7-(3-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804466
SMILES Fc1cccc(c1)Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=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 C21H17FN4O5 MW 424.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-4-3-5-13(22)8-12)20(23-18)31-14-6-7-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3InChIKey
GCGJPJWHESQKOF-UHFFFAOYSA-NSynonyms
8(13BENZODIOXOL5YLOXY)7((3FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(13benzodioxol5yloxy)7(3fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(benzo(d)(13)dioxol5yloxy)7(3fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)F
InChI=1SC21H17FN4O5c1241817(19(27)25(2)21(24)28)26(101243513(22)812)20(2318)3114671516(914)30112915h39H1011H212H3
MFCD02236444
ZINC000000789688
ZINC00789688
ZINC789688
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