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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-[(4-methylquinolin-2-yl)amino]ethyl}-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552037
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1cc(C)c2c(n1)cccc2

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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 C38H38ClN3O7S MW 716.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O7S/c1-20-16-30(42-26-9-7-6-8-24(20)26)40-14-15-41-31(44)18-25(22-10-12-23(50-5)13-11-22)32-27(43)17-21(2)38(36(32)45)37(46)33-28(47-3)19-29(48-4)34(39)35(33)49-38/h6-13,16,19,21,25,45H,14-15,17-18H2,1-5H3,(H,40,42)(H,41,44)/t21-,25?,38
InChIKey
NEOPCDOJRBEQQS-YRJMHRKJSA-N
Synonyms

135640341
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2((4methylquinolin2yl)amino)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2((4methylquinolin2yl)amino)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2((4methylquinolin2yl)amino)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)NCCNc1cc(C)c2c(n1)cccc2
InChI=1SC38H38ClN3O7Sc1201630(4226976824(20)26)4014154131(44)1825(22101223(505)131122)3227(43)1721(2)38(36(32)45)37(46)3328(473)1929(484)34(39)35(33)4938h6131619212545H14151718H215H3(H4042)(H4144)t2125?38+m1s1
ZINC001547139319
ZINC001547139320

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Available files

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