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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]-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[(1-methyl-1H-1,2,4-triazol-5-yl)amino]ethyl}propanamide

Catalog ID
STL551624
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncnn1C

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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 C31H34ClN5O9 MW 656.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClN5O9/c1-15-10-19(39)24(28(41)31(15)29(42)25-21(44-4)13-22(45-5)26(32)27(25)46-31)17(16-6-7-18(38)20(11-16)43-3)12-23(40)33-8-9-34-30-35-14-36-37(30)2/h6-7,11,13-15,17,38,41H,8-10,12H2,1-5H3,(H,33,40)(H,34,35,36)/t15-,17?,31+/m1/s1
InChIKey
REMRYLQEDLSBBT-IWJPMEPFSA-N
Synonyms

132352038
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2((1methyl1H124triazol5yl)amino)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2((2methyl124triazol3yl)amino)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N(2((1METHYL1H124TRIAZOL5YL)AMINO)ETHYL)PROP
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2((1methyl1H124triazol5yl)amino)ethyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncnn1C
InChI=1SC31H34ClN5O9c1151019(39)24(28(41)31(15)29(42)2521(444)1322(455)26(32)27(25)4631)17(166718(38)20(1116)433)1223(40)3389343035143637(30)2h67111315173841H81012H215H3(H3340)(H343536)t1517?31+m1s1
ZINC000824596448
ZINC000824596449

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Available files

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