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N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL540714
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N2CCC(CC2)c2nnc3n2cccc3)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 C36H42N6O6 MW 654.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O6/c1-22(43)38-27-12-10-24-20-30(46-2)34(47-3)35(48-4)33(24)25-11-13-28(29(44)21-26(25)27)37-16-7-9-32(45)41-18-14-23(15-19-41)36-40-39-31-8-5-6-17-42(31)36/h5-6,8,11,13,17,20-21,23,27H,7,9-10,12,14-16,18-19H2,1-4H3,(H,37,44)(H,38,43)/t27
InChIKey
SWFUYHWVEFUFIW-MHZLTWQESA-N
Synonyms
1574293-67-6
(S)N(10((4(4((124)triazolo(43a)pyridin3yl)piperidin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((4oxo4(4((124)triazolo(43a)pyridin3yl)piperidin1yl)butyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574293676
75492213
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)N2CCC(CC2)c2nnc3n2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC36H42N6O6c122(43)38271210242030(462)34(473)35(484)33(24)25111328(29(44)2126(25)27)37167932(45)41181423(151941)364039318561742(31)36h56811131720212327H79101214161819H214H3(H3744)(H3843)t27m0s1
N((7S)123trimethoxy9oxo10((4oxo4(4((124)triazolo(43a)pyridin3yl)piperidin1yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653685
ZINC150653685

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Available files

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