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(1S,5R)-3-{[(2Z)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL484226
SMILES COc1cccc(c1OC)/C=C/1\Oc2c(C1=O)ccc(c2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C29H28N2O6 MW 500.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6/c1-35-24-7-3-5-18(28(24)36-2)12-25-27(34)20-9-10-23(32)21(29(20)37-25)16-30-13-17-11-19(15-30)22-6-4-8-26(33)31(22)14-17/h3-10,12,17,19,32H,11,13-16H2,1-2H3/b25-12-/t17-,19+/m0/s1
InChIKey
QHIBYGSFKZSZTP-RSHJNMMUSA-N
Synonyms

(1R5S)3(((Z)2(23dimethoxybenzylidene)6hydroxy3oxo23dihydrobenzofuran7yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)onehydrochloride
(1S5R)3(((2Z)2(23dimethoxybenzylidene)6hydroxy3oxo23dihydro1benzofuran7yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CC5CC(C4)C6=CC=CC(=O)N6C5
COc1cccc(c1OC)C=C1Oc2c(C1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
COc1cccc(c1OC)C=C1Oc2c(C1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)OCl
InChI=1SC29H28N2O6c1352473518(28(24)362)122527(34)2091023(32)21(29(20)3725)163013171119(1530)2264826(33)31(22)1417h31012171932H111316H212H3b2512t1719+m1s1
MFCD12029448
ZINC000020760981
ZINC20760981

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Available files

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