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N-[2-(5-methoxy-1H-indol-3-yl)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
STL511708
SMILES COc1ccc2c(c1)c(CCNC(=O)C1Cc3cc(ccc3N3C1C1CC(C3)c3n(C1)c(=O)ccc3)[N+](=O)[O-])c[nH]2

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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 C31H31N5O5 MW 553.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O5/c1-41-23-6-7-26-24(14-23)18(15-33-26)9-10-32-31(38)25-13-19-12-22(36(39)40)5-8-28(19)35-16-20-11-21(30(25)35)17-34-27(20)3-2-4-29(34)37/h2-8,12,14-15,20-21,25,30,33H,9-11,13,16-17H2,1H3,(H,32,38)
InChIKey
MPKNIDPDTFNMHO-UHFFFAOYSA-N
Synonyms

(6R6aS)N(2(5methoxy1Hindol3yl)ethyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
~(N)(2(5methoxy1~(H)indol3yl)ethyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
135638051
COc1ccc2c(c1)c(CCNC(=O)(C@@H)1Cc3cc(ccc3N3(C@H)1C1CC(C3)c3n(C1)c(=O)ccc3)(N+)(=O)(O))c(nH)2
InChI=1SC31H31N5O5c14123672624(1423)18(153326)9103231(38)2513191222(36(39)40)5828(19)3516201121(30(25)35)173427(20)32429(34)37h281214152021253033H911131617H21H3(H3238)
MFCD31751785
N(2(5methoxy1Hindol3yl)ethyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
ZINC000604406339
ZINC001772491401

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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