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methyl (4-{[(6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonothioyl]amino}phenyl)acetate

Catalog ID
STK688812
SMILES COC(=O)Cc1ccc(cc1)NC(=S)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31

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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 C25H33N3O2S MW 439.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N3O2S/c1-30-23(29)13-17-7-9-21(10-8-17)26-25(31)28-12-4-5-18-14-19-15-20(24(18)28)16-27-11-3-2-6-22(19)27/h7-10,14,19-20,22,24H,2-6,11-13,15-16H2,1H3,(H,26,31)/t19-,20+,22+,24+/m0/s1
InChIKey
HTFIDJSGQLUDQV-LNGMVNIQSA-N
Synonyms
956787-14-7
COC(=O)Cc1ccc(cc1)NC(=S)N1CCCC2=C(C@@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
COC(=O)Cc1ccc(cc1)NC(=S)N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
methyl(4(((6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonothioyl)amino)phenyl)acetate
methyl2(4((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamido)phenyl)acetate
Registry IDs
MFCD18246978
ZINC000100766603

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Available files

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