N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(9R)-6-methoxy-9-cinchonanyl]thiourea

CAS

852913-25-8

Catalog Number

ACM852913258

Category

Other Products

Molecular Weight

594.61

Molecular Formula

C29H28F6N4OS

MSDS COA Spec Sheet

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Specification

Synonyms

852913-25-8, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea, CTK8B9362, ANW-62395, AKOS016004079, AK102130, KB-213547, epi-N-Quinidyl-N inverted exclamation marka-bis(3,5-trifluoromethyl)phenylthiourea, 1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(R)(6-methoxy-4-quinolinyl)-[(2R,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]methyl}thiourea, N-[3,5-Bis(trifluoromethyl)phenyl]-N inverted exclamation marka-[(9R)-6 inverted exclamation marka-methoxy-9-cinchonanyl]thiourea

IUPAC Name

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

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 Key

IQMKPBFOEWWDIQ-ZRJNXXGPSA-N

Exact Mass

594.18900

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

287979-82-2
23165-29-9

852913-25-8

Reference: [1]Berkessel, Albrecht; Mukherjee, Santanu; Mueller, Thomas N.; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudoerfl, Joerg-M.; Lex, Johann
[Organic and Biomolecular Chemistry, 2006, vol. 4, # 23, p. 4319 - 4330]