Chemical Compound

CHEMBL5853821

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CHEMBL5853821 chemical structure
Primary Record

CHEMBL5853821

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
121475781
SMILES
C[C@H]1[C@@H]([C@@H]2[C@H](OC(=O)[C@@]2(CC1(F)F)C3=NN(C(=C3)C(C)(C)C)C)C)/C=C/C4=NC=C(C=C4)C5=CC=CC(=C5C#N)C
Canonical SMILES
Cc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@]4(c4cc(C(C)(C)C)n(C)n4)CC(F)(F)[C@H]3C)nc2)c1C#N

Names & Synonyms

  • CHEMBL5853821
  • SCHEMBL17915891
  • US10322140, Example 10
  • BZYSLBHXOZZJSW-NMCLLGAZSA-N
  • BDBM398063
  • 2-(6-((E)-2- ((3R,3aS,4R,5S,7aR)- 7a-(5-(tert-butyl)-1- methyl-1H-pyrazol-3- yl)-6,6-difluoro-3,5- dimethyl-1- oxooctahydroisobenzo furan-4-yl)vinyl) pyridin-3- yl)benzonitrile