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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-hydroxy-1H-indol-3-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552233
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(O)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 C36H35ClN2O8S MW 691.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClN2O8S/c1-18-13-26(41)30(34(43)36(18)35(44)31-27(45-2)16-28(46-3)32(37)33(31)47-36)24(19-5-8-22(48-4)9-6-19)15-29(42)38-12-11-20-17-39-25-10-7-21(40)14-23(20)25/h5-10,14,16-18,24,39-40,43H,11-13,15H2,1-4H3,(H,38,42)/t18-,24?,36+/m1/s1
InChIKey
REDGTPGXUUADQH-YNVWRQAESA-N
Synonyms

135640504
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(5hydroxy1~(H)indol3yl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)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(O)cc2
InChI=1SC36H35ClN2O8Sc1181326(41)30(34(43)36(18)35(44)3127(452)1628(463)32(37)33(31)4736)24(195822(484)9619)1529(42)3812112017392510721(40)1423(20)25h51014161824394043H111315H214H3(H3842)t1824?36+m1s1
ZINC001547138748
ZINC001547138749

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Available files

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