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N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-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-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551857
SMILES CSCC[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)c1ccc(cc1)SC

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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 C37H38ClN3O7S2 MW 736.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38ClN3O7S2/c1-19-16-26(42)30(34(44)37(19)35(45)31-27(46-2)18-28(47-3)32(38)33(31)48-37)22(20-10-12-21(50-5)13-11-20)17-29(43)39-25(14-15-49-4)36-40-23-8-6-7-9-24(23)41-36/h6-13,18-19,22,25,44H,14-17H2,1-5H3,(H,39,43)(H,40,41)/t19-,22?,25+,37+
InChIKey
UBZOAPRBMAEACH-IAUXCCQMSA-N
Synonyms

~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylsulfanylpropyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640191
CSCC(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)c1ccc(cc1)SC
InChI=1SC37H38ClN3O7S2c1191626(42)30(34(44)37(19)35(45)3127(462)1828(473)32(38)33(31)4837)22(20101221(505)131120)1729(43)3925(1415494)364023867924(23)4136h6131819222544H1417H215H3(H3943)(H4041)t1922?25+37+m1s1
N((1S)1(1HBENZIMIDAZOL2YL)3(METHYLSULFANYL)PROPYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHEN
N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547139269
ZINC001547139270

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Available files

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