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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3-benzodioxol-5-yl)-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]propanamide

Catalog ID
STL552108
SMILES CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2)C

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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 C38H38ClN3O9 MW 716.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O9/c1-6-18(2)33(37-40-22-9-7-8-10-23(22)41-37)42-29(44)15-21(20-11-12-25-26(14-20)50-17-49-25)30-24(43)13-19(3)38(35(30)45)36(46)31-27(47-4)16-28(48-5)32(39)34(31)51-38/h7-12,14,16,18-19,21,33,45H,6,13,15,17H2,1-5H3,(H,40,41)(H,42,44)/t
InChIKey
VJQJPNHUCGWRFA-UTDIFUERSA-N
Synonyms

~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)propanamide
135640402
CC(C@@H)((C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2)C
InChI=1SC38H38ClN3O9c1618(2)33(3740229781023(22)4137)4229(44)1521(2011122526(1420)50174925)3024(43)1319(3)38(35(30)45)36(46)3127(474)1628(485)32(39)34(31)5138h71214161819213345H6131517H215H3(H4041)(H4244)t1819+21?3338m0s1
N((1S)1(1Hbenzimidazol2yl)2methylbutyl)3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)propanamide
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamide
ZINC001547208609
ZINC001547208616

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Available files

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