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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-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide

Catalog ID
STL540825
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N[C@H](c2nnc3n2cccc3)C)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 C33H38N6O6 MW 614.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N6O6/c1-19(33-38-37-28-9-6-7-16-39(28)33)35-29(42)10-8-15-34-25-14-12-22-23(18-26(25)41)24(36-20(2)40)13-11-21-17-27(43-3)31(44-4)32(45-5)30(21)22/h6-7,9,12,14,16-19,24H,8,10-11,13,15H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/t19-,24-/m0/s1
InChIKey
HRTPKMAOXUMRLH-CYFREDJKSA-N
Synonyms
1574379-16-0
1574379160
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))1((124)triazolo(43a)pyridin3yl)ethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1S)1((124)triazolo(43a)pyridin3yl)ethyl)butanamide
75492351
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)N(C@H)(c2nnc3n2cccc3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H38N6O6c119(333837289671639(28)33)3529(42)10815342514122223(1826(25)41)24(3620(2)40)1311211727(433)31(444)32(455)30(21)22h6791214161924H810111315H215H3(H3441)(H3542)(H3640)t1924m0s1
N((S)1((124)triazolo(43a)pyridin3yl)ethyl)4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
ZINC000108450912
ZINC108450912

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Available files

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