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N~3~-{3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl)propanoyl}-N-pyridin-2-yl-beta-alaninamide

Catalog ID
STL561971
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1ccccn1

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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 C36H38ClN3O11 MW 724.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38ClN3O11/c1-18-13-21(41)29(34(44)36(18)35(45)30-22(46-2)17-23(47-3)31(37)33(30)51-36)20(19-14-24(48-4)32(50-6)25(15-19)49-5)16-28(43)39-12-10-27(42)40-26-9-7-8-11-38-26/h7-9,11,14-15,17-18,20,44H,10,12-13,16H2,1-6H3,(H,39,43)(H,38,40,42)/t18
InChIKey
CWLJSYWHMQJCBN-NZTYGRRNSA-N
Synonyms

145705323
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3oxo3(pyridin2ylamino)propyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(3oxo3(pyridin2ylamino)propyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)Nc1ccccn1
InChI=1SC36H38ClN3O11c1181321(41)29(34(44)36(18)35(45)3022(462)1723(473)31(37)33(30)5136)20(191424(484)32(506)25(1519)495)1628(43)39121027(42)4026978113826h7911141517182044H10121316H216H3(H3943)(H384042)t1820?36+m1s1
MFCD32651027
N~3~(3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanoyl)Npyridin2ylbetaalaninamide
N3(3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(345TRIMETHOXYPHENYL)PROPANOYL)NPYRIDIN2YLBETAALANINAMIDE
ZINC001848443278
ZINC001848443279

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Available files

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