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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-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552381
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1c[nH]c2c1cc(OC)cc2

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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 C37H37ClN2O8S MW 705.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN2O8S/c1-19-14-27(41)31(35(43)37(19)36(44)32-28(46-3)17-29(47-4)33(38)34(32)48-37)25(20-6-9-23(49-5)10-7-20)16-30(42)39-13-12-21-18-40-26-11-8-22(45-2)15-24(21)26/h6-11,15,17-19,25,40,43H,12-14,16H2,1-5H3,(H,39,42)/t19-,25?,37+/m1/s1
InChIKey
VWYNMGAXJMPEHL-PIDGGYGOSA-N
Synonyms

135640626
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5methoxy1Hindol3yl)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(5methoxy1~(H)indol3yl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5methoxy1Hindol3yl)ethyl)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)NCCc1c(nH)c2c1cc(OC)cc2
InChI=1SC37H37ClN2O8Sc1191427(41)31(35(43)37(19)36(44)3228(463)1729(474)33(38)34(32)4837)25(206923(495)10720)1630(42)3913122118402611822(452)1524(21)26h611151719254043H121416H215H3(H3942)t1925?37+m1s1
ZINC001547138900
ZINC001547138906

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Available files

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