N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea - CAS 852913-16-7

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  • Chemical Structure
  • General Information
  • Catalog: BB042422
  • Product Name: N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
  • CAS: 852913-16-7
  • IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea
  • Synonyms: 9-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-(epi-quinine)
  • Molecular Weight: 594.61
  • Molecular Formula: C29H28F6N4OS
  • Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
  • InChI: InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1
  • InChI Key: IQMKPBFOEWWDIQ-FRSFCCSCSA-N
Catalog Number Size Price Stock Quantity
BB042422 1 g $848 In stock
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