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4-({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]propanoyl}amino)-N-(pyridin-3-yl)butanamide

Catalog ID
STL552067
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCC(=O)Nc1cccnc1

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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 C35H36ClN3O8S MW 694.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClN3O8S/c1-19-15-24(40)29(33(43)35(19)34(44)30-25(45-2)17-26(46-3)31(36)32(30)47-35)23(20-9-11-22(48-4)12-10-20)16-28(42)38-14-6-8-27(41)39-21-7-5-13-37-18-21/h5,7,9-13,17-19,23,43H,6,8,14-16H2,1-4H3,(H,38,42)(H,39,41)/t19-,23?,35+/m1/s1
InChIKey
IHGLFSNJMFSALS-ZKQXHVBSSA-N
Synonyms

135640365
4((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanoyl)amino)~(N)pyridin3ylbutanamide
4((3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanoyl)amino)N(pyridin3yl)butanamide
4(3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamido)N(pyridin3yl)butanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCC(=O)Nc1cccnc1
InChI=1SC35H36ClN3O8Sc1191524(40)29(33(43)35(19)34(44)3025(452)1726(463)31(36)32(30)4735)23(2091122(484)121020)1628(42)38146827(41)39217513371821h5791317192343H681416H214H3(H3842)(H3941)t1923?35+m1s1
ZINC001547138938
ZINC001547138940

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Available files

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