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N-[(7S)-10-({4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-oxobutyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL549139
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)NC(=O)C)cc(c1OC)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 C36H42ClN3O7 MW 664.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42ClN3O7/c1-22(41)39-28-13-7-23-20-31(45-2)34(46-3)35(47-4)33(23)26-12-14-29(30(42)21-27(26)28)38-17-5-6-32(43)40-18-15-36(44,16-19-40)24-8-10-25(37)11-9-24/h8-12,14,20-21,28,44H,5-7,13,15-19H2,1-4H3,(H,38,42)(H,39,41)/t28-/m0/s1
InChIKey
VUBCEXPUEPVZOL-NDEPHWFRSA-N
Synonyms

(S)N(10((4(4(4chlorophenyl)4hydroxypiperidin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((4(4(4chlorophenyl)4hydroxypiperidin1yl)4oxobutyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
110206503
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)NC(=O)C)cc(c1OC)OC
InChI=1SC36H42ClN3O7c122(41)3928137232031(452)34(463)35(474)33(23)26121429(30(42)2127(26)28)38175632(43)40181536(44161940)2481025(37)11924h8121420212844H57131519H214H3(H3842)(H3941)t28m0s1
N((7S)10((4(4(4chlorophenyl)4hydroxypiperidin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000253413828
ZINC253413828

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Available files

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