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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]-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561660
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(CO)nc2c1cccc2

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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 C38H40ClN3O11 MW 750.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40ClN3O11/c1-19-13-24(44)31(36(46)38(19)37(47)32-25(48-2)17-26(49-3)33(39)35(32)53-38)21(20-14-27(50-4)34(52-6)28(15-20)51-5)16-30(45)40-11-12-42-23-10-8-7-9-22(23)41-29(42)18-43/h7-10,14-15,17,19,21,43,46H,11-13,16,18H2,1-6H3,(H,40,45)/t19-,
InChIKey
ZPMXELZIJTZZPI-RDWNNHKFSA-N
Synonyms

145705017
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(2(hydroxymethyl)1Hbenzo(d)imidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(2(hydroxymethyl)benzimidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(2(HYDROXYMETHYL)1HBENZIMIDAZOL1YL)ETHYL)3(345TRIMETHOXYPHENYL)PROPAN
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(2(hydroxymethyl)1Hbenzimidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(CO)nc2c1cccc2
InChI=1SC38H40ClN3O11c1191324(44)31(36(46)38(19)37(47)3225(482)1726(493)33(39)35(32)5338)21(201427(504)34(526)28(1520)515)1630(45)40111242231087922(23)4129(42)1843h71014151719214346H11131618H216H3(H4045)t1921?38+m1s1
MFCD32650725
ZINC001848443228
ZINC001848443229

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Available files

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