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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-[3-(phenylamino)propyl]propanamide

Catalog ID
STL551875
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCNc1ccccc1

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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 C35H37ClN2O9 MW 665.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37ClN2O9/c1-19-15-24(40)29(33(42)35(19)34(43)30-26(45-3)18-27(46-4)31(36)32(30)47-35)22(20-11-12-23(39)25(16-20)44-2)17-28(41)38-14-8-13-37-21-9-6-5-7-10-21/h5-7,9-12,16,18-19,22,37,39,42H,8,13-15,17H2,1-4H3,(H,38,41)/t19-,22?,35+/m1/s1
InChIKey
CXFQWIHCDFBKMY-ITDVZLHKSA-N
Synonyms

~(N)(3anilinopropyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352334
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(phenylamino)propyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(phenylamino)propyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCNc1ccccc1
InChI=1SC35H37ClN2O9c1191524(40)29(33(42)35(19)34(43)3026(453)1827(464)31(36)32(30)4735)22(20111223(39)25(1620)442)1728(41)3814813372196571021h5791216181922373942H8131517H214H3(H3841)t1922?35+m1s1
ZINC000824595823
ZINC000824595824

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Available files

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