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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-(1H-imidazol-1-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551913
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cncc1

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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 C31H32ClN3O7S MW 626.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClN3O7S/c1-17-13-21(36)25(29(38)31(17)30(39)26-22(40-2)15-23(41-3)27(32)28(26)42-31)20(18-5-7-19(43-4)8-6-18)14-24(37)34-10-12-35-11-9-33-16-35/h5-9,11,15-17,20,38H,10,12-14H2,1-4H3,(H,34,37)/t17-,20?,31+/m1/s1
InChIKey
HPOSHMIJULEYEN-XBRRXPFASA-N
Synonyms

135640236
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2imidazol1ylethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(1Himidazol1yl)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)NCCn1cncc1
InChI=1SC31H32ClN3O7Sc1171321(36)25(29(38)31(17)30(39)2622(402)1523(413)27(32)28(26)4231)20(185719(434)8618)1424(37)34101235119331635h591115172038H101214H214H3(H3437)t1720?31+m1s1
N(2(1Himidazol1yl)ethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547138882
ZINC001547138885

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Available files

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