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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-{2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}propanamide

Catalog ID
STL551951
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccc(cc1)S(=O)(=O)N

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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 C34H34ClN3O10S2 MW 744.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClN3O10S2/c1-17-13-23(39)28(32(42)34(17)33(43)29-24(46-2)15-25(47-3)30(35)31(29)48-34)22(18-5-9-20(49-4)10-6-18)14-26(40)37-16-27(41)38-19-7-11-21(12-8-19)50(36,44)45/h5-12,15,17,22,42H,13-14,16H2,1-4H3,(H,37,40)(H,38,41)(H2,36,44,45)/t17-,
InChIKey
LNAGWYGEEMAPOP-WPFKYXMZSA-N
Synonyms

135640271
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2oxo2((4sulfamoylphenyl)amino)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2oxo2(4sulfamoylanilino)ethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2oxo2((4sulfamoylphenyl)amino)ethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1ccc(cc1)S(=O)(=O)N
InChI=1SC34H34ClN3O10S2c1171323(39)28(32(42)34(17)33(43)2924(462)1525(473)30(35)31(29)4834)22(185920(494)10618)1426(40)371627(41)381971121(12819)50(3644)45h51215172242H131416H214H3(H3740)(H3841)(H2364445)t1722?34+m1s1
ZINC001547139186
ZINC001547139187

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Available files

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