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2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]acetamide

Catalog ID
STL561874
SMILES CSCC[C@@H](c1nc2c(n1C)cccc2)NC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC

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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 C39H38ClN3O8S MW 744.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H38ClN3O8S/c1-20-17-28-31(36(45)39(20)37(46)32-27(48-4)19-29(49-5)33(40)35(32)51-39)23(34(50-28)21-11-13-22(47-3)14-12-21)18-30(44)41-25(15-16-52-6)38-42-24-9-7-8-10-26(24)43(38)2/h7-14,19-20,25H,15-18H2,1-6H3,(H,41,44)/t20-,25+,39+/m1/s1
InChIKey
QLAJFULZGAFVQE-LSEMJRIXSA-N
Synonyms

145705228
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N((1S)1(1METHYL1HBENZIMIDAZOL2YL)3(METHYLSULFANYL)PROPYL)
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((1S)1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((S)1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((1S)1(1methylbenzimidazol2yl)3methylsulfanylpropyl)acetamide
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC
InChI=1SC39H38ClN3O8Sc120172831(36(45)39(20)37(46)3227(484)1929(495)33(40)35(32)5139)23(34(5028)21111322(473)141221)1830(44)4125(1516526)3842249781026(24)43(38)2h714192025H1518H216H3(H4144)t2025+39+m1s1
MFCD32650934
ZINC001848442974

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Available files

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