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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-{3-(methylsulfanyl)-1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]propyl}propanamide

Catalog ID
STL552437
SMILES CSCCC(c1onc(n1)C(C)C)NC(=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 C35H40ClN3O8S2 MW 730.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40ClN3O8S2/c1-17(2)33-38-34(47-39-33)22(12-13-48-6)37-26(41)15-21(19-8-10-20(49-7)11-9-19)27-23(40)14-18(3)35(31(27)42)32(43)28-24(44-4)16-25(45-5)29(36)30(28)46-35/h8-11,16-18,21-22,42H,12-15H2,1-7H3,(H,37,41)/t18-,21?,22?,35+/m1/s1
InChIKey
NKNHACIPXSRVAX-VHPRRRSWSA-N
Synonyms

135640674
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(3isopropyl124oxadiazol5yl)3(methylthio)propyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(3methylsulfanyl1(3propan2yl124oxadiazol5yl)propyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N(3(METHYLSULFANYL)1(3(PROPAN2YL)124OXADIAZO
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(3(methylsulfanyl)1(3(propan2yl)124oxadiazol5yl)propyl)propanamide
CSCCC(c1onc(n1)C(C)C)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
InChI=1SC35H40ClN3O8S2c117(2)333834(473933)22(1213486)3726(41)1521(1981020(497)11919)2723(40)1418(3)35(31(27)42)32(43)2824(444)1625(455)29(36)30(28)4635h8111618212242H1215H217H3(H3741)t1821?22?35+m1s1
L5YL)PROPYL)PROPANAMIDE
ZINC001547138565
ZINC001547138571

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Available files

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