Vitas-M small molecule compound
8-(1,3-benzodioxol-5-yloxy)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK804469
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1cccc2c1cccc2)Oc1ccc2c(c1)OCO2
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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 C25H20N4O5 MW 456.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O5/c1-27-22-21(23(30)28(2)25(27)31)29(13-16-8-5-7-15-6-3-4-9-18(15)16)24(26-22)34-17-10-11-19-20(12-17)33-14-32-19/h3-12H,13-14H2,1-2H3InChIKey
SXBOCNSPKUDWFY-UHFFFAOYSA-NSynonyms
8(13benzodioxol5yloxy)13dimethyl7(naphthalen1ylmethyl)37dihydro1Hpurine26dione
8(13BENZODIOXOL5YLOXY)13DIMETHYL7(NAPHTHALEN1YLMETHYL)PURINE26DIONE
8(benzo(d)(13)dioxol5yloxy)13dimethyl7(naphthalen1ylmethyl)1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC6=CC=CC=C65
InChI=1SC25H20N4O5c1272221(23(30)28(2)25(27)31)29(131685715634918(15)16)24(2622)341710111920(1217)33143219h312H1314H212H3
MFCD02237701
ZINC000000789691
ZINC00789691
ZINC789691
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