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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide

Catalog ID
STL562096
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCc1onc(n1)c1ccccc1

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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 C32H32N6O4 MW 564.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N6O4/c1-19(39)34-23-10-11-26-22(15-23)16-25(30-24-14-20(18-38(26)30)17-37-27(24)8-5-9-29(37)40)32(41)33-13-12-28-35-31(36-42-28)21-6-3-2-4-7-21/h2-11,15,20,24-25,30H,12-14,16-18H2,1H3,(H,33,41)(H,34,39)/t20-,24+,25+,30+/m0/s1
InChIKey
DWIYWTFWWLMUGE-MULYJWFTSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(2(3phenyl124oxadiazol5yl)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(2(3phenyl124oxadiazol5yl)ethyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(2(3phenyl124oxadiazol5yl)ethyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705447
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCc1onc(n1)c1ccccc1
InChI=1SC32H32N6O4c119(39)342310112622(1523)1625(30241420(1838(26)30)173727(24)85929(37)40)32(41)331312283531(364228)216324721h2111520242530H12141618H21H3(H3341)(H3439)t2024+25+30+m0s1
MFCD32651150
ZINC001848443299

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Available files

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