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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]-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indol-4-ylmethyl)propanamide

Catalog ID
STL551987
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1cccc2c1cc[nH]2

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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 C35H33ClN2O9 MW 661.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33ClN2O9/c1-17-12-24(40)29(33(42)35(17)34(43)30-26(45-3)15-27(46-4)31(36)32(30)47-35)21(18-8-9-23(39)25(13-18)44-2)14-28(41)38-16-19-6-5-7-22-20(19)10-11-37-22/h5-11,13,15,17,21,37,39,42H,12,14,16H2,1-4H3,(H,38,41)/t17-,21?,35+/m1/s1
InChIKey
HAAREGSXUYOKQT-IGJBXWSVSA-N
Synonyms

132352109
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(1~(H)indol4ylmethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(1Hindol4ylmethyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1cccc2c1cc(nH)2
InChI=1SC35H33ClN2O9c1171224(40)29(33(42)35(17)34(43)3026(453)1527(464)31(36)32(30)4735)21(188923(39)25(1318)442)1428(41)3816196572220(19)10113722h51113151721373942H121416H214H3(H3841)t1721?35+m1s1
N((1Hindol4yl)methyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824595855
ZINC000824595856

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Available files

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