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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]-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551949
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1cc(OC)c(cc1[N+](=O)[O-])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 C36H37ClN2O11S MW 741.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37ClN2O11S/c1-18-13-24(40)30(34(42)36(18)35(43)31-27(48-4)17-28(49-5)32(37)33(31)50-36)22(19-7-9-21(51-6)10-8-19)15-29(41)38-12-11-20-14-25(46-2)26(47-3)16-23(20)39(44)45/h7-10,14,16-18,22,42H,11-13,15H2,1-6H3,(H,38,41)/t18-,22?,36+/m1/s1
InChIKey
NSQDZNUNHKIWLF-OOKDWTMHSA-N
Synonyms

135640269
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(45dimethoxy2nitrophenethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(45dimethoxy2nitrophenyl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(45dimethoxy2nitrophenyl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1cc(OC)c(cc1(N+)(=O)(O))OC
InChI=1SC36H37ClN2O11Sc1181324(40)30(34(42)36(18)35(43)3127(484)1728(495)32(37)33(31)5036)22(197921(516)10819)1529(41)381211201425(462)26(473)1623(20)39(44)45h7101416182242H111315H216H3(H3841)t1822?36+m1s1
ZINC001547138594
ZINC001547138595

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Available files

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