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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-[4-(1,3-thiazol-2-yl)benzyl]propanamide

Catalog ID
STL552500
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccc(cc1)c1nccs1

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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 C36H33ClN2O7S2 MW 705.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33ClN2O7S2/c1-19-15-25(40)29(33(42)36(19)34(43)30-26(44-2)17-27(45-3)31(37)32(30)46-36)24(21-9-11-23(47-4)12-10-21)16-28(41)39-18-20-5-7-22(8-6-20)35-38-13-14-48-35/h5-14,17,19,24,42H,15-16,18H2,1-4H3,(H,39,41)/t19-,24?,36+/m1/s1
InChIKey
OZWRFJPRGDHWTK-PHJHLJKNSA-N
Synonyms

135640724
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(4(thiazol2yl)benzyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)((4(13thiazol2yl)phenyl)methyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(4(13thiazol2yl)benzyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccc(cc1)c1nccs1
InChI=1SC36H33ClN2O7S2c1191525(40)29(33(42)36(19)34(43)3026(442)1727(453)31(37)32(30)4636)24(2191123(474)121021)1628(41)3918205722(8620)353813144835h51417192442H151618H214H3(H3941)t1924?36+m1s1
ZINC001547139384
ZINC001547139385

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Available files

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