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3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-{4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}propanamide

Catalog ID
STL566409
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C31H35N3O8 MW 577.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O8/c1-18-11-25(36)30(40)31(42-18)22(20-8-9-24(35)26(13-20)41-2)14-27(37)32-10-4-7-28(38)33-15-19-12-21(17-33)23-5-3-6-29(39)34(23)16-19/h3,5-6,8-9,11,13,19,21-22,35,40H,4,7,10,12,14-17H2,1-2H3,(H,32,37)/t19-,21+,22?/m1/s1
InChIKey
VAUDDVGMUVSUSW-DOYJUQJDSA-N
Synonyms

127253026
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)N(4oxo4((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butyl)propanamide
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC31H35N3O8c1181125(36)30(40)31(4218)22(208924(35)26(1320)412)1427(37)32104728(38)3315191221(1733)2353629(39)34(23)1619h3568911131921223540H4710121417H212H3(H3237)t1921+22?m1s1
MFCD32651922
ZINC000604405964
ZINC000604405965

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Available files

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