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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-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552198
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(CO)nc2c1cccc2

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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 C36H36ClN3O8S MW 706.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36ClN3O8S/c1-19-15-25(42)30(34(44)36(19)35(45)31-26(46-2)17-27(47-3)32(37)33(31)48-36)22(20-9-11-21(49-4)12-10-20)16-29(43)38-13-14-40-24-8-6-5-7-23(24)39-28(40)18-41/h5-12,17,19,22,41,44H,13-16,18H2,1-4H3,(H,38,43)/t19-,22?,36+/m1/s1
InChIKey
GIUGUCFMCGMNRS-RNEVABNNSA-N
Synonyms

135640473
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(2(hydroxymethyl)1Hbenzo(d)imidazol1yl)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(2(hydroxymethyl)benzimidazol1yl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(2(HYDROXYMETHYL)1HBENZIMIDAZOL1YL)ETHYL)3(4(METHYLSULFANYL)PHENYL)PROP
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(2(hydroxymethyl)1Hbenzimidazol1yl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(CO)nc2c1cccc2
InChI=1SC36H36ClN3O8Sc1191525(42)30(34(44)36(19)35(45)3126(462)1727(473)32(37)33(31)4836)22(2091121(494)121020)1629(43)3813144024865723(24)3928(40)1841h5121719224144H131618H214H3(H3843)t1922?36+m1s1
ZINC001547139104
ZINC001547139108

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Available files

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