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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-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551718
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1nc2c([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 C34H31ClFN3O7S MW 680.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClFN3O7S/c1-16-11-23(40)28(32(42)34(16)33(43)29-24(44-2)14-25(45-3)30(35)31(29)46-34)20(17-5-8-19(47-4)9-6-17)13-27(41)37-15-26-38-21-10-7-18(36)12-22(21)39-26/h5-10,12,14,16,20,42H,11,13,15H2,1-4H3,(H,37,41)(H,38,39)/t16-,20?,34+/m1/s1
InChIKey
VIGSOSXRZOZKAC-ZHEHFMJNSA-N
Synonyms

135640072
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((5fluoro1Hbenzo(d)imidazol2yl)methyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((6fluoro1~(H)benzimidazol2yl)methyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((6fluoro1Hbenzimidazol2yl)methyl)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)NCc1nc2c((nH)1)ccc(c2)F
InChI=1SC34H31ClFN3O7Sc1161123(40)28(32(42)34(16)33(43)2924(442)1425(453)30(35)31(29)4634)20(175819(474)9617)1327(41)371526382110718(36)1222(21)3926h5101214162042H111315H214H3(H3741)(H3839)t1620?34+m1s1
ZINC001547139606
ZINC001547139607

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Available files

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