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(1R,9R,16S,16aR)-4-(acetylamino)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-12-oxo-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
STL562059
SMILES COc1cc([N+](=O)[O-])c(cc1OC)CCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=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 C32H35N5O7 MW 601.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O7/c1-18(38)34-22-7-8-25-21(12-22)13-24(31-23-11-19(17-36(25)31)16-35-26(23)5-4-6-30(35)39)32(40)33-10-9-20-14-28(43-2)29(44-3)15-27(20)37(41)42/h4-8,12,14-15,19,23-24,31H,9-11,13,16-17H2,1-3H3,(H,33,40)(H,34,38)/t19-,23+,24+,31+/m0/s1
InChIKey
SIZOXUPEJJUZHC-LLULILTLSA-N
Synonyms

(1R9R16S16aR)4(acetylamino)N(2(45dimethoxy2nitrophenyl)ethyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1R9R16S16aR)4acetamidoN(45dimethoxy2nitrophenethyl)12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(2(45dimethoxy2nitrophenyl)ethyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
145705410
COc1cc((N+)(=O)(O))c(cc1OC)CCNC(=O)(C@@H)1Cc2cc(ccc2N2(C@@H)1(C@@H)1C(C@H)(C2)Cn2c1cccc2=O)NC(=O)C
InChI=1SC32H35N5O7c118(38)3422782521(1222)1324(31231119(1736(25)31)163526(23)54630(35)39)32(40)33109201428(432)29(443)1527(20)37(41)42h4812141519232431H911131617H213H3(H3340)(H3438)t1923+24+31+m0s1
MFCD32651113
ZINC001848443445

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Available files

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