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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-[3-(2-oxoazepan-1-yl)propyl]propanamide

Catalog ID
STL551864
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCN1CCCCCC1=O)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 C35H39ClN2O10 MW 683.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39ClN2O10/c1-19-14-22(39)29(33(42)35(19)34(43)30-25(44-2)17-26(45-3)31(36)32(30)48-35)21(20-9-10-23-24(15-20)47-18-46-23)16-27(40)37-11-7-13-38-12-6-4-5-8-28(38)41/h9-10,15,17,19,21,42H,4-8,11-14,16,18H2,1-3H3,(H,37,40)/t19-,21?,35+/m1/s1
InChIKey
JMKZLUNBSHPLLU-FCZPWXHGSA-N
Synonyms

135640198
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3(2oxoazepan1yl)propyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(3(2oxoazepan1yl)propyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3(2oxoazepan1yl)propyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCCN1CCCCCC1=O)Cl
InChI=1SC35H39ClN2O10c1191422(39)29(33(42)35(19)34(43)3025(442)1726(453)31(36)32(30)4835)21(209102324(1520)47184623)1627(40)37117133812645828(38)41h9101517192142H4811141618H213H3(H3740)t1921?35+m1s1
ZINC001547205974
ZINC001547205975

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Available files

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