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N-[3-(1H-benzimidazol-2-yl)propyl]-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
STL552184
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1nc2c([nH]1)cccc2

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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 C36H36ClN3O9 MW 690.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36ClN3O9/c1-18-14-24(42)30(34(44)36(18)35(45)31-26(47-3)17-27(48-4)32(37)33(31)49-36)20(19-11-12-23(41)25(15-19)46-2)16-29(43)38-13-7-10-28-39-21-8-5-6-9-22(21)40-28/h5-6,8-9,11-12,15,17-18,20,41,44H,7,10,13-14,16H2,1-4H3,(H,38,43)(H,39,40)/t
InChIKey
BBFZOTQBJKSGLS-NZTYGRRNSA-N
Synonyms

~(N)(3(1~(H)benzimidazol2yl)propyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352403
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1nc2c((nH)1)cccc2
InChI=1SC36H36ClN3O9c1181424(42)30(34(44)36(18)35(45)3126(473)1727(484)32(37)33(31)4936)20(19111223(41)25(1519)462)1629(43)3813710283921856922(21)4028h56891112151718204144H710131416H214H3(H3843)(H3940)t1820?36+m1s1
N(3(1Hbenzimidazol2yl)propyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N(3(1Hbenzo(d)imidazol2yl)propyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824595805
ZINC000824595806

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Available files

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