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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-(3-hydroxypropyl)-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552031
SMILES OCCCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC

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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 C29H32ClNO8S MW 590.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO8S/c1-15-12-19(33)23(18(13-22(34)31-10-5-11-32)16-6-8-17(40-4)9-7-16)27(35)29(15)28(36)24-20(37-2)14-21(38-3)25(30)26(24)39-29/h6-9,14-15,18,32,35H,5,10-13H2,1-4H3,(H,31,34)/t15-,18?,29+/m1/s1
InChIKey
GCPMDRURSMXJOL-NIGZUBCTSA-N
Synonyms

135640336
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3hydroxypropyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3hydroxypropyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(3hydroxypropyl)3(4(methylsulfanyl)phenyl)propanamide
InChI=1SC29H32ClNO8Sc1151219(33)23(18(1322(34)311051132)166817(404)9716)27(35)29(15)28(36)2420(372)1421(383)25(30)26(24)3929h691415183235H51013H214H3(H3134)t1518?29+m1s1
OCCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
ZINC001547138752
ZINC001547138753

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Available files

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