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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]-3-[4-(methylsulfanyl)phenyl]-N-[3-(2-oxoazepan-1-yl)propyl]propanamide

Catalog ID
STL551927
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCN1CCCCCC1=O

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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 C35H41ClN2O8S MW 685.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41ClN2O8S/c1-20-17-24(39)29(33(42)35(20)34(43)30-25(44-2)19-26(45-3)31(36)32(30)46-35)23(21-10-12-22(47-4)13-11-21)18-27(40)37-14-8-16-38-15-7-5-6-9-28(38)41/h10-13,19-20,23,42H,5-9,14-18H2,1-4H3,(H,37,40)/t20-,23?,35+/m1/s1
InChIKey
SIEZFIGXPYNLMT-WKMVISQKSA-N
Synonyms

135640248
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(3(2oxoazepan1yl)propyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(3(2oxoazepan1yl)propyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(3(2oxoazepan1yl)propyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCN1CCCCCC1=O
InChI=1SC35H41ClN2O8Sc1201724(39)29(33(42)35(20)34(43)3025(442)1926(453)31(36)32(30)4635)23(21101222(474)131121)1827(40)37148163815756928(38)41h101319202342H591418H214H3(H3740)t2023?35+m1s1
ZINC001547138806
ZINC001547138807

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Available files

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