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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{3-[(1-methyl-1H-imidazol-2-yl)carbonyl]phenyl}butanamide

Catalog ID
STL546838
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1cccc(c1)C(=O)c1nccn1C)NC(=O)C

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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 C36H39N5O7 MW 653.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39N5O7/c1-21(42)39-27-13-11-22-19-30(46-3)34(47-4)35(48-5)32(22)25-12-14-28(29(43)20-26(25)27)37-15-7-10-31(44)40-24-9-6-8-23(18-24)33(45)36-38-16-17-41(36)2/h6,8-9,12,14,16-20,27H,7,10-11,13,15H2,1-5H3,(H,37,43)(H,39,42)(H,40,44)/t27-/m0/s1
InChIKey
OMSLHGLQCJMOCD-MHZLTWQESA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1methyl1Himidazole2carbonyl)phenyl)butanamide
110207093
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1methylimidazole2carbonyl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3((1methyl1Himidazol2yl)carbonyl)phenyl)butanamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1cccc(c1)C(=O)c1nccn1C)NC(=O)C
InChI=1SC36H39N5O7c121(42)39271311221930(463)34(474)35(485)32(22)25121428(29(43)2026(25)27)371571031(44)402496823(1824)33(45)3638161741(36)2h6891214162027H710111315H215H3(H3743)(H3942)(H4044)t27m0s1
ZINC000253411337
ZINC253411337

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Available files

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