Vitas-M small molecule compound

8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK804471
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)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 C21H18N4O5 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3
InChIKey
JKXQIJSPZUWKGO-UHFFFAOYSA-N
Synonyms
359684-71-2
359684712
8(13benzodioxol5yloxy)7benzyl13dimethyl37dihydro1Hpurine26dione
8(13BENZODIOXOL5YLOXY)7BENZYL13DIMETHYLPURINE26DIONE
8(benzo(d)(13)dioxol5yloxy)7benzyl13dimethyl1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5
InChI=1SC21H18N4O5c1231817(19(26)24(2)21(23)27)25(11136435713)20(2218)3014891516(1014)29122815h310H1112H212H3
MFCD01942400
ZINC000000851288
ZINC00851288
ZINC851288

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Available files

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