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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-L-valinamide

Catalog ID
STL542092
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](c2nnc3n2cccc3)CC(C)C)C(C)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 C37H46N6O6 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N6O6/c1-20(2)17-28(36-42-41-31-11-9-10-16-43(31)36)40-37(46)33(21(3)4)39-27-15-13-24-25(19-29(27)45)26(38-22(5)44)14-12-23-18-30(47-6)34(48-7)35(49-8)32(23)24/h9-11,13,15-16,18-21,26,28,33H,12,14,17H2,1-8H3,(H,38,44)(H,39,45)(H,40,46)/t26-,
InChIKey
KQDXGQXCIZKFLT-QUSZHGRCSA-N
Synonyms
1574392-00-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))3methyl1((124)triazolo(43a)pyridin3yl)butyl)butanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)3methylbutyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574392009
75491961
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(c2nnc3n2cccc3)CC(C)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H46N6O6c120(2)1728(36424131119101643(31)36)4037(46)33(21(3)4)392715132425(1929(27)45)26(3822(5)44)1412231830(476)34(487)35(498)32(23)24h9111315161821262833H121417H218H3(H3844)(H3945)(H4046)t262833m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3methyl1((124)triazolo(43a)pyridin3yl)butyl)Lvalinamide
ZINC000150653568
ZINC150653568

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Available files

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