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(6R,6aR,13R,13aS)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine-1(6aH)-carbothioamide

Catalog ID
STK687896
SMILES S=C(N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)Nc1cc(ccc1Cl)C(F)(F)F

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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 C23H27ClF3N3S MW 470.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClF3N3S/c24-18-7-6-17(23(25,26)27)12-19(18)28-22(31)30-9-3-4-14-10-15-11-16(21(14)30)13-29-8-2-1-5-20(15)29/h6-7,10,12,15-16,20-21H,1-5,8-9,11,13H2,(H,28,31)/t15-,16+,20+,21+/m0/s1
InChIKey
XBGBXONEELVYPX-OBNJBMLMSA-N
Synonyms
(6R6aR13R13aS)N(2chloro5(trifluoromethyl)phenyl)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamide
(6R6aR13R13aS)N(2chloro5(trifluoromethyl)phenyl)34678910121313adecahydro2H613methanodipyrido(12a32e)azocine1(6aH)carbothioamide
S=C(N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)Nc1cc(ccc1Cl)C(F)(F)F
S=C(N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)Nc1cc(ccc1Cl)C(F)(F)F
Registry IDs
MFCD32649524
ZINC000100212217

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Available files

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