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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-(1H-imidazol-1-yl)ethyl]propanamide

Catalog ID
STL552389
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1cncc1

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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 C31H32ClN3O9 MW 626.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClN3O9/c1-16-11-20(37)25(29(39)31(16)30(40)26-22(42-3)14-23(43-4)27(32)28(26)44-31)18(17-5-6-19(36)21(12-17)41-2)13-24(38)34-8-10-35-9-7-33-15-35/h5-7,9,12,14-16,18,36,39H,8,10-11,13H2,1-4H3,(H,34,38)/t16-,18?,31+/m1/s1
InChIKey
SJNGNMFYPYNVRR-PGTSUYOHSA-N
Synonyms

132351870
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2imidazol1ylethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(1Himidazol1yl)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)NCCn1cncc1
InChI=1SC31H32ClN3O9c1161120(37)25(29(39)31(16)30(40)2622(423)1423(434)27(32)28(26)4431)18(175619(36)21(1217)412)1324(38)348103597331535h579121416183639H8101113H214H3(H3438)t1618?31+m1s1
N(2(1Himidazol1yl)ethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824596455
ZINC000824596456

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Available files

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