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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-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-L-methioninamide

Catalog ID
STL540383
SMILES CSCC[C@@H](C(=O)N[C@H](c1nnc2n1cccc2)CCSC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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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 C36H44N6O6S2 MW 720.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N6O6S2/c1-21(43)37-25-12-10-22-19-30(46-2)33(47-3)34(48-4)32(22)23-11-13-26(29(44)20-24(23)25)38-28(15-18-50-6)36(45)39-27(14-17-49-5)35-41-40-31-9-7-8-16-42(31)35/h7-9,11,13,16,19-20,25,27-28H,10,12,14-15,17-18H2,1-6H3,(H,37,43)(H,38,44)(H
InChIKey
QOTVLORRXUHIGR-MYKRZTLLSA-N
Synonyms
1574353-05-1
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)butanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
1574353051
75492430
CSCC(C@@H)(C(=O)N(C@H)(c1nnc2n1cccc2)CCSC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N6O6S2c121(43)37251210221930(462)33(473)34(484)32(22)23111326(29(44)2024(23)25)3828(1518506)36(45)3927(1417495)354140319781642(31)35h791113161920252728H101214151718H216H3(H3743)(H3844)(H3945)t252728m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)Lmethioninamide
ZINC000150653803
ZINC150653803

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Available files

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