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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]-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561758
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)NCC(=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 C35H36ClN3O11 MW 710.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClN3O11/c1-17-11-20(40)28(33(43)35(17)34(44)29-21(45-2)15-22(46-3)30(36)32(29)50-35)19(18-12-23(47-4)31(49-6)24(13-18)48-5)14-26(41)38-16-27(42)39-25-9-7-8-10-37-25/h7-10,12-13,15,17,19,43H,11,14,16H2,1-6H3,(H,38,41)(H,37,39,42)/t17-,19?,35
InChIKey
JRWPBIINSMNYDZ-OPUSVBKHSA-N
Synonyms

145705114
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2oxo2(pyridin2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2oxo2(pyridin2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2oxo2(pyridin2ylamino)ethyl)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)NCC(=O)Nc1ccccn1
InChI=1SC35H36ClN3O11c1171120(40)28(33(43)35(17)34(44)2921(452)1522(463)30(36)32(29)5035)19(181223(474)31(496)24(1318)485)1426(41)381627(42)3925978103725h710121315171943H111416H216H3(H3841)(H373942)t1719?35+m1s1
MFCD32650823
ZINC001848442799
ZINC001848442800

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Available files

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