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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-(pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561704
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)NCCc1ccccn1

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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 C35H37ClN2O10 MW 681.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37ClN2O10/c1-18-13-22(39)28(33(41)35(18)34(42)29-23(43-2)17-24(44-3)30(36)32(29)48-35)21(16-27(40)38-12-10-20-9-7-8-11-37-20)19-14-25(45-4)31(47-6)26(15-19)46-5/h7-9,11,14-15,17-18,21,41H,10,12-13,16H2,1-6H3,(H,38,40)/t18-,21?,35+/m1/s1
InChIKey
OWXMICHNAKSGDV-YKKOPPFRSA-N
Synonyms

145705060
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(pyridin2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2pyridin2ylethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(pyridin2yl)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)NCCc1ccccn1
InChI=1SC35H37ClN2O10c1181322(39)28(33(41)35(18)34(42)2923(432)1724(443)30(36)32(29)4835)21(1627(40)38121020978113720)191425(454)31(476)26(1519)465h7911141517182141H10121316H216H3(H3840)t1821?35+m1s1
MFCD32650769
ZINC001848442925
ZINC001848442926

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Available files

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