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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-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

Catalog ID
STL551946
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C36H43ClN2O7S MW 683.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43ClN2O7S/c1-20-16-26(40)30(34(42)36(20)35(43)31-27(44-2)18-28(45-3)32(37)33(31)46-36)24(21-10-12-23(47-4)13-11-21)17-29(41)38-19-22-8-7-15-39-14-6-5-9-25(22)39/h10-13,18,20,22,24-25,42H,5-9,14-17,19H2,1-4H3,(H,38,41)/t20-,22+,24?,25-,36+/m1/
InChIKey
RATUPLXBSVHMMC-RFTYQKHOSA-N
Synonyms

~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640266
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N((1S9AR)OCTAHYDRO2HQUINOLIZIN1YLMETHYL)PROPANAM
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC36H43ClN2O7Sc1201626(40)30(34(42)36(20)35(43)3127(442)1828(453)32(37)33(31)4636)24(21101223(474)131121)1729(41)3819228715391465925(22)39h1013182022242542H59141719H214H3(H3841)t2022+24?2536+m1s1
ZINC001547138746
ZINC001547138747

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Available files

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