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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-(1H-indol-4-ylmethyl)-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552571
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1cccc2c1cc[nH]2

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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 C35H33ClN2O7S MW 661.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33ClN2O7S/c1-18-14-25(39)29(33(41)35(18)34(42)30-26(43-2)16-27(44-3)31(36)32(30)45-35)23(19-8-10-21(46-4)11-9-19)15-28(40)38-17-20-6-5-7-24-22(20)12-13-37-24/h5-13,16,18,23,37,41H,14-15,17H2,1-4H3,(H,38,40)/t18-,23?,35+/m1/s1
InChIKey
SEIQKMIZEPNOMM-ITKJTOCRSA-N
Synonyms

135640785
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1~(H)indol4ylmethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1Hindol4ylmethyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1cccc2c1cc(nH)2
InChI=1SC35H33ClN2O7Sc1181425(39)29(33(41)35(18)34(42)3026(432)1627(443)31(36)32(30)4535)23(1981021(464)11919)1528(40)3817206572422(20)12133724h5131618233741H141517H214H3(H3840)t1823?35+m1s1
N((1Hindol4yl)methyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547139524
ZINC001547139525

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Available files

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