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N-[2-(1H-benzimidazol-1-yl)ethyl]-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)propanamide

Catalog ID
STL552196
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cnc2c1cccc2

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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 C35H34ClN3O9 MW 676.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O9/c1-18-13-24(41)29(33(43)35(18)34(44)30-26(46-3)16-27(47-4)31(36)32(30)48-35)20(19-9-10-23(40)25(14-19)45-2)15-28(42)37-11-12-39-17-38-21-7-5-6-8-22(21)39/h5-10,14,16-18,20,40,43H,11-13,15H2,1-4H3,(H,37,42)/t18-,20?,35+/m1/s1
InChIKey
QIPMLEZVEBVWIM-GDBDRNCMSA-N
Synonyms

~(N)(2(benzimidazol1yl)ethyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352153
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cnc2c1cccc2
InChI=1SC35H34ClN3O9c1181324(41)29(33(43)35(18)34(44)3026(463)1627(474)31(36)32(30)4835)20(1991023(40)25(1419)452)1528(42)37111239173821756822(21)39h510141618204043H111315H214H3(H3742)t1820?35+m1s1
N(2(1Hbenzimidazol1yl)ethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N(2(1Hbenzo(d)imidazol1yl)ethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824596391
ZINC000824596404

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Available files

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