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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-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561948
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1nc2c([nH]1)cc(cc2)F

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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 C37H37ClFN3O10 MW 738.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClFN3O10/c1-17-11-23(43)30(35(45)37(17)36(46)31-24(47-2)16-25(48-3)32(38)34(31)52-37)20(18-12-26(49-4)33(51-6)27(13-18)50-5)15-29(44)40-10-9-28-41-21-8-7-19(39)14-22(21)42-28/h7-8,12-14,16-17,20,45H,9-11,15H2,1-6H3,(H,40,44)(H,41,42)/t17-,2
InChIKey
CYTGGJPSMSSKNR-HFIKKVSDSA-N
Synonyms

145705302
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5fluoro1Hbenzo(d)imidazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(6fluoro1Hbenzimidazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(6fluoro1Hbenzimidazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1nc2c((nH)1)ccc(c2)F
InChI=1SC37H37ClFN3O10c1171123(43)30(35(45)37(17)36(46)3124(472)1625(483)32(38)34(31)5237)20(181226(494)33(516)27(1318)505)1529(44)401092841218719(39)1422(21)4228h78121416172045H91115H216H3(H4044)(H4142)t1720?37+m1s1
MFCD32651006
ZINC001848443281
ZINC001848443282

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Available files

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