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N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-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
STL552574
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)c1ccc2c(c1)OCO2

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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 C37H36ClN3O9S MW 734.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36ClN3O9S/c1-18-13-24(42)30(34(44)37(18)35(45)31-27(46-2)16-28(47-3)32(38)33(31)50-37)20(19-9-10-25-26(14-19)49-17-48-25)15-29(43)39-23(11-12-51-4)36-40-21-7-5-6-8-22(21)41-36/h5-10,14,16,18,20,23,44H,11-13,15,17H2,1-4H3,(H,39,43)(H,40,41)/t1
InChIKey
ICOWAXVKXLGJEF-QITBFUJTSA-N
Synonyms

~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylsulfanylpropyl)3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)propanamide
135640788
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)c1ccc2c(c1)OCO2
InChI=1SC37H36ClN3O9Sc1181324(42)30(34(44)37(18)35(45)3127(462)1628(473)32(38)33(31)5037)20(199102526(1419)49174825)1529(43)3923(1112514)364021756822(21)4136h510141618202344H11131517H214H3(H3943)(H4041)t1820?23+37+m1s1
N((1S)1(1HBENZIMIDAZOL2YL)3(METHYLSULFANYL)PROPYL)3(13BENZODIOXOL5YL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)P
N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamide
ZINC001547205971
ZINC001547205972

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Available files

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