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N-[4-(acetylamino)phenyl]-N~3~-{[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}-beta-alaninamide

Catalog ID
STL561560
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC(=O)Nc1ccc(cc1)NC(=O)C)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC

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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 C38H36ClN3O10 MW 730.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36ClN3O10/c1-19-16-27-31(36(46)38(19)37(47)32-26(49-4)18-28(50-5)33(39)35(32)52-38)25(34(51-27)21-6-12-24(48-3)13-7-21)17-30(45)40-15-14-29(44)42-23-10-8-22(9-11-23)41-20(2)43/h6-13,18-19H,14-17H2,1-5H3,(H,40,45)(H,41,43)(H,42,44)/t19-,38+/m1
InChIKey
TXFQBXGLXGQJIL-FMLHZHDMSA-N
Synonyms

145704917
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC(=O)Nc1ccc(cc1)NC(=O)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC38H36ClN3O10c119162731(36(46)38(19)37(47)3226(494)1828(505)33(39)35(32)5238)25(34(5127)2161224(483)13721)1730(45)40151429(44)422310822(91123)4120(2)43h6131819H1417H215H3(H4045)(H4143)(H4244)t1938+m1s1
MFCD32650625
N(4(acetylamino)phenyl)N~3~(((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetyl)betaalaninamide
N(4(ACETYLAMINO)PHENYL)N3(((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)ACETYL)BETAALANINAMIDE
N(4acetamidophenyl)3((2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)acetyl)amino)propanamide
N(4acetamidophenyl)3(2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)acetamido)propanamide
ZINC001848443049

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Available files

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