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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-{2-[3-(pyridin-3-yl)-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
STL561731
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)c1cccnc1

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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 C31H31N7O4 MW 565.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N7O4/c1-18(39)34-22-7-8-25-21(13-22)14-24(29-23-12-19(17-38(25)29)16-37-26(23)5-2-6-28(37)40)31(41)33-11-9-27-35-30(36-42-27)20-4-3-10-32-15-20/h2-8,10,13,15,19,23-24,29H,9,11-12,14,16-17H2,1H3,(H,33,41)(H,34,39)/t19-,23+,24+,29+/m0/s1
InChIKey
VCAPQDMQOAYGOD-WZELYZJASA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(2(3(pyridin3yl)124oxadiazol5yl)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(2(3(pyridin3yl)124oxadiazol5yl)ethyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(2(3pyridin3yl124oxadiazol5yl)ethyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705087
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCc1onc(n1)c1cccnc1
InChI=1SC31H31N7O4c118(39)3422782521(1322)1424(29231219(1738(25)29)163726(23)52628(37)40)31(41)33119273530(364227)204310321520h2810131519232429H91112141617H21H3(H3341)(H3439)t1923+24+29+m0s1
MFCD32650796
ZINC001848443093

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Available files

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