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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-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]butanamide

Catalog ID
STL542315
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCCCCc2nnc3n2cccc3)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 C36H44N6O6 MW 656.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N6O6/c1-23(43)39-27-16-14-24-21-30(46-2)35(47-3)36(48-4)34(24)25-15-17-28(29(44)22-26(25)27)37-19-10-13-33(45)38-18-8-5-6-11-31-40-41-32-12-7-9-20-42(31)32/h7,9,12,15,17,20-22,27H,5-6,8,10-11,13-14,16,18-19H2,1-4H3,(H,37,44)(H,38,45)(H,39,4
InChIKey
QFFFMVGCWBIIQG-MHZLTWQESA-N
Synonyms
1574354-87-2
(S)N(5((124)triazolo(43a)pyridin3yl)pentyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574354872
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5((124)triazolo(43a)pyridin3yl)pentyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5((124)triazolo(43a)pyridin3yl)pentyl)butanamide
75491069
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCCCCCc2nnc3n2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC36H44N6O6c123(43)39271614242130(462)35(473)36(484)34(24)25151728(29(44)2226(25)27)3719101333(45)3818856113140413212792042(31)32h79121517202227H56810111314161819H214H3(H3744)(H3845)(H3943)t27m0s1
ZINC000150653001
ZINC150653001

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Available files

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