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

Catalog ID
STL551867
SMILES CSCC[C@@H](c1nc2c(n1C)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 C38H38ClN3O9S MW 748.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O9S/c1-19-14-25(43)31(35(45)38(19)36(46)32-28(47-3)17-29(48-4)33(39)34(32)51-38)21(20-10-11-26-27(15-20)50-18-49-26)16-30(44)40-23(12-13-52-5)37-41-22-8-6-7-9-24(22)42(37)2/h6-11,15,17,19,21,23,45H,12-14,16,18H2,1-5H3,(H,40,44)/t19-,21?
InChIKey
OJOPYBAEXGNBHV-YGGHLAFWSA-N
Synonyms

135640201
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((1~(S))1(1methylbenzimidazol2yl)3methylsulfanylpropyl)propanamide
3(13BENZODIOXOL5YL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((1S)1(1METHYL1HBENZIMIDAZOL2YL)3(METHYLSULFANYL
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((1S)1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((S)1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)propanamide
CSCC(C@@H)(c1nc2c(n1C)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=1SC38H38ClN3O9Sc1191425(43)31(35(45)38(19)36(46)3228(473)1729(484)33(39)34(32)5138)21(2010112627(1520)50184926)1630(44)4023(1213525)374122867924(22)42(37)2h611151719212345H12141618H215H3(H4044)t1921?23+38+m1s1
ZINC001547211128
ZINC001547211130

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Available files

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