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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-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide

Catalog ID
STL552096
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1c[nH]c2c1cc(O)cc2

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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 C36H35ClN2O10 MW 691.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClN2O10/c1-17-11-25(42)30(34(44)36(17)35(45)31-27(47-3)15-28(48-4)32(37)33(31)49-36)22(18-5-8-24(41)26(12-18)46-2)14-29(43)38-10-9-19-16-39-23-7-6-20(40)13-21(19)23/h5-8,12-13,15-17,22,39-41,44H,9-11,14H2,1-4H3,(H,38,43)/t17-,22?,36+/m1/s1
InChIKey
XAYAJDVYUSUCCD-MXWTXDHISA-N
Synonyms

135640391
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(5hydroxy1~(H)indol3yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1c(nH)c2c1cc(O)cc2
InChI=1SC36H35ClN2O10c1171125(42)30(34(44)36(17)35(45)3127(473)1528(484)32(37)33(31)4936)22(185824(41)26(1218)462)1429(43)38109191639237620(40)1321(19)23h581213151722394144H91114H214H3(H3843)t1722?36+m1s1
ZINC001547139648
ZINC001547139649

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Available files

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