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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-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552228
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(c1cc(OC)c(c(c1)OC)OC)N(C)C

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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 C39H45ClN2O10S MW 769.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45ClN2O10S/c1-20-14-26(43)32(37(45)39(20)38(46)33-27(47-4)18-28(48-5)34(40)36(33)52-39)24(21-10-12-23(53-9)13-11-21)17-31(44)41-19-25(42(2)3)22-15-29(49-6)35(51-8)30(16-22)50-7/h10-13,15-16,18,20,24-25,45H,14,17,19H2,1-9H3,(H,41,44)/t20-,24?,
InChIKey
MIKLFGSIGUMSFW-TUEWPZOBSA-N
Synonyms

135640500
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(dimethylamino)2(345trimethoxyphenyl)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(dimethylamino)2(345trimethoxyphenyl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(DIMETHYLAMINO)2(345TRIMETHOXYPHENYL)ETHYL)3(4(METHYLSULFANYL)PHENYL)PR
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(dimethylamino)2(345trimethoxyphenyl)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)NCC(c1cc(OC)c(c(c1)OC)OC)N(C)C
InChI=1SC39H45ClN2O10Sc1201426(43)32(37(45)39(20)38(46)3327(474)1828(485)34(40)36(33)5239)24(21101223(539)131121)1731(44)411925(42(2)3)221529(496)35(518)30(1622)507h101315161820242545H141719H219H3(H4144)t2024?25?39+m1s1
ZINC001547139240
ZINC001547139245

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Available files

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