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(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-{3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propyl}-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
STL561922
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCCc1onc(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 C32H33N7O4 MW 579.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N7O4/c1-19(40)35-23-9-10-26-22(14-23)15-25(30-24-13-20(18-39(26)30)17-38-27(24)6-2-8-29(38)41)32(42)34-12-4-7-28-36-31(37-43-28)21-5-3-11-33-16-21/h2-3,5-6,8-11,14,16,20,24-25,30H,4,7,12-13,15,17-18H2,1H3,(H,34,42)(H,35,40)/t20-,24+,25+,30+
InChIKey
PDYWHTKVFDZZRW-MULYJWFTSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)12oxoN(3(3(pyridin3yl)124oxadiazol5yl)propyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamido12oxoN(3(3(pyridin3yl)124oxadiazol5yl)propyl)128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamido16oxoN(3(3pyridin3yl124oxadiazol5yl)propyl)1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705276
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCCc1onc(n1)c1cccnc1
InChI=1SC32H33N7O4c119(40)35239102622(1423)1525(30241320(1839(26)30)173827(24)62829(38)41)32(42)341247283631(374328)215311331621h2356811141620242530H471213151718H21H3(H3442)(H3540)t2024+25+30+m0s1
MFCD32650980
ZINC001848443409

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Available files

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