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N-[3-(1H-benzimidazol-2-yl)propyl]-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-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561853
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)NCCCc1nc2c([nH]1)cccc2

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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 C38H40ClN3O10 MW 734.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40ClN3O10/c1-19-14-24(43)31(36(45)38(19)37(46)32-25(47-2)18-26(48-3)33(39)35(32)52-38)21(20-15-27(49-4)34(51-6)28(16-20)50-5)17-30(44)40-13-9-12-29-41-22-10-7-8-11-23(22)42-29/h7-8,10-11,15-16,18-19,21,45H,9,12-14,17H2,1-6H3,(H,40,44)(H,41,42
InChIKey
CCHDLYFYSCICCO-RDWNNHKFSA-N
Synonyms

145705207
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)NCCCc1nc2c((nH)1)cccc2
InChI=1SC38H40ClN3O10c1191424(43)31(36(45)38(19)37(46)3225(472)1826(483)33(39)35(32)5238)21(201527(494)34(516)28(1620)505)1730(44)401391229412210781123(22)4229h781011151618192145H9121417H216H3(H4044)(H4142)t1921?38+m1s1
MFCD32650914
N(3(1Hbenzimidazol2yl)propyl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
N(3(1Hbenzimidazol2yl)propyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N(3(1Hbenzo(d)imidazol2yl)propyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
ZINC001848442612
ZINC001848442613

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Available files

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