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(6R,6aS)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-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
STL551251
SMILES CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)NC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])C

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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 C32H34N6O4 MW 566.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N6O4/c1-3-18(2)29(31-33-24-7-4-5-8-25(24)34-31)35-32(40)23-15-19-14-22(38(41)42)11-12-27(19)37-16-20-13-21(30(23)37)17-36-26(20)9-6-10-28(36)39/h4-12,14,18,20-21,23,29-30H,3,13,15-17H2,1-2H3,(H,33,34)(H,35,40)/t18-,20?,21?,23+,29-,30-/m0/s1
InChIKey
PJKASWCVBHJELB-GYWSZNTGSA-N
Synonyms

(2~(S)3~(R))~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
(6R6aS)N((1S)1(1Hbenzimidazol2yl)2methylbutyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
127253674
CC(C@@H)((C@@H)(c1nc2c((nH)1)cccc2)NC(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))C
InChI=1SC32H34N6O4c1318(2)29(313324745825(24)3431)3532(40)2315191422(38(41)42)111227(19)3716201321(30(23)37)173626(20)961028(36)39h41214182021232930H3131517H212H3(H3334)(H3540)t1820?21?23+2930m0s1
ZINC001547138168

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Available files

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