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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-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561667
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)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C38H47ClN2O10 MW 727.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47ClN2O10/c1-20-14-25(42)31(36(44)38(20)37(45)32-26(46-2)18-27(47-3)33(39)35(32)51-38)23(22-15-28(48-4)34(50-6)29(16-22)49-5)17-30(43)40-19-21-10-9-13-41-12-8-7-11-24(21)41/h15-16,18,20-21,23-24,44H,7-14,17,19H2,1-6H3,(H,40,43)/t20-,21+,23?,2
InChIKey
FPYBLPKIJQDNFZ-APNIVXTBSA-N
Synonyms

145705024
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((1S9AR)OCTAHYDRO2HQUINOLIZIN1YLMETHYL)3(345TRIMETHOXYPHENYL)PROPANAMID
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)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)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC38H47ClN2O10c1201425(42)31(36(44)38(20)37(45)3226(462)1827(473)33(39)35(32)5138)23(221528(484)34(506)29(1622)495)1730(43)401921109134112871124(21)41h1516182021232444H7141719H216H3(H4043)t2021+23?2438+m1s1
MFCD32650732
N(((1S9aR)23467899aoctahydro1Hquinolizin1yl)methyl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
ZINC001848442688
ZINC001848442689

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Available files

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