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(6R,6aS)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-10-oxo-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinoline-6-carboxamide

Catalog ID
STL551039
SMILES COc1ccc(cc1OC)CCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-]

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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 C30H32N4O6 MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O6/c1-39-26-9-6-18(12-27(26)40-2)10-11-31-30(36)23-15-19-14-22(34(37)38)7-8-25(19)33-16-20-13-21(29(23)33)17-32-24(20)4-3-5-28(32)35/h3-9,12,14,20-21,23,29H,10-11,13,15-17H2,1-2H3,(H,31,36)/t20?,21?,23-,29+/m1/s1
InChIKey
VLQURQZVBVCIQC-CDSGXBBZSA-N
Synonyms

(2~(S)3~(R))~(N)(2(34dimethoxyphenyl)ethyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
(6R6aS)N(2(34dimethoxyphenyl)ethyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N(34dimethoxyphenethyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
127253914
COc1ccc(cc1OC)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O)
InChI=1SC30H32N4O6c139269618(1227(26)402)10113130(36)2315191422(34(37)38)7825(19)3316201321(29(23)33)173224(20)43528(32)35h39121420212329H1011131517H212H3(H3136)t20?21?2329+m1s1
ZINC001547138172

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Available files

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