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

Catalog ID
STL549962
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)N1CCC[C@H]1c1nc2c(n1C)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 C37H43N5O6 MW 653.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43N5O6/c1-22(43)39-26-16-14-23-20-32(46-3)35(47-4)36(48-5)34(23)24-15-17-28(31(44)21-25(24)26)38-18-8-13-33(45)42-19-9-12-30(42)37-40-27-10-6-7-11-29(27)41(37)2/h6-7,10-11,15,17,20-21,26,30H,8-9,12-14,16,18-19H2,1-5H3,(H,38,44)(H,39,43)/t26-,
InChIKey
DVGXAXXIUWSKEC-YZNIXAGQSA-N
Synonyms

~(N)((7~(S))123trimethoxy10((4((2~(S))2(1methylbenzimidazol2yl)pyrrolidin1yl)4oxobutyl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253646
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)N1CCC(C@H)1c1nc2c(n1C)cccc2
InChI=1SC37H43N5O6c122(43)39261614232032(463)35(474)36(485)34(23)24151728(31(44)2125(24)26)381881333(45)421991230(42)37402710671129(27)41(37)2h671011151720212630H891214161819H215H3(H3844)(H3943)t2630m0s1
N((7S)123trimethoxy10((4((2S)2(1methyl1Hbenzimidazol2yl)pyrrolidin1yl)4oxobutyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10((4((S)2(1methyl1Hbenzo(d)imidazol2yl)pyrrolidin1yl)4oxobutyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604403926
ZINC604403926

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Available files

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