SIMIFYRKANMGPU-UHFFFAOYSA-N

For research use only. Not for therapeutic Use.

  • CAT Number: M154900
  • Molecular Formula: C22H26N4O3S
  • Molecular Weight: 426.535
  • Purity: ≥95%
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Catalog Number M154900
Molecular Formula C22H26N4O3S
Purity ≥95%
IUPAC Name 3-(1-adamantyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI InChI=1S/C22H26N4O3S/c1-27-16-7-15(8-17(28-2)18(16)29-3)19-25-26-20(23-24-21(26)30-19)22-9-12-4-13(10-22)6-14(5-12)11-22/h7-8,12-14H,4-6,9-11H2,1-3H3
InChIKey SIMIFYRKANMGPU-UHFFFAOYSA-N
SMILES COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5

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