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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-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
STL551869
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)Cc1ccccc1

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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 C41H38ClN3O9 MW 752.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H38ClN3O9/c1-21-16-29(47)34(38(49)41(21)39(50)35-31(52-3)20-32(53-4)36(42)37(35)54-41)24(23-14-15-28(46)30(18-23)51-2)19-33(48)43-27(17-22-10-6-5-7-11-22)40-44-25-12-8-9-13-26(25)45-40/h5-15,18,20-21,24,27,46,49H,16-17,19H2,1-4H3,(H,43,48)(H,4
InChIKey
PZGOHDLXGNGCKE-IBEGABAQSA-N
Synonyms

~(N)((1~(S))1(1~(H)benzimidazol2yl)2phenylethyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
135640203
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)Cc1ccccc1
InChI=1SC41H38ClN3O9c1211629(47)34(38(49)41(21)39(50)3531(523)2032(534)36(42)37(35)5441)24(23141528(46)30(1823)512)1933(48)4327(1722106571122)40442512891326(25)4540h51518202124274649H161719H214H3(H4348)(H4445)t2124?27+41+m1s1
N((1S)1(1HBENZIMIDAZOL2YL)2PHENYLETHYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)PROPANA
N((1S)1(1Hbenzimidazol2yl)2phenylethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)2phenylethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC001547139428
ZINC001547139429

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Available files

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