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3-(1,3-benzodioxol-5-yl)-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]propanamide

Catalog ID
STL551844
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1c[nH]c2c1cc(O)cc2)Cl

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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 C36H33ClN2O10 MW 689.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33ClN2O10/c1-17-10-24(41)30(34(43)36(17)35(44)31-27(45-2)14-28(46-3)32(37)33(31)49-36)22(18-4-7-25-26(11-18)48-16-47-25)13-29(42)38-9-8-19-15-39-23-6-5-20(40)12-21(19)23/h4-7,11-12,14-15,17,22,39-40,43H,8-10,13,16H2,1-3H3,(H,38,42)/t17-,22?,3
InChIKey
IYKFJBMRDZQQKO-MXWTXDHISA-N
Synonyms

135640180
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(5hydroxy1~(H)indol3yl)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(5hydroxy1Hindol3yl)ethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1c(nH)c2c1cc(O)cc2)Cl
InChI=1SC36H33ClN2O10c1171024(41)30(34(43)36(17)35(44)3127(452)1428(463)32(37)33(31)4936)22(18472526(1118)48164725)1329(42)3898191539236520(40)1221(19)23h47111214151722394043H8101316H213H3(H3842)t1722?36+m1s1
ZINC001547205801
ZINC001547205803

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Available files

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