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

Catalog ID
STL543422
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)CCCCCNc1ccc2c(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 C37H46N6O6S MW 702.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N6O6S/c1-23(44)39-27-15-13-24-21-31(47-2)35(48-3)36(49-4)34(24)25-14-16-28(30(45)22-26(25)27)38-18-9-6-7-12-33(46)40-29(17-20-50-5)37-42-41-32-11-8-10-19-43(32)37/h8,10-11,14,16,19,21-22,27,29H,6-7,9,12-13,15,17-18,20H2,1-5H3,(H,38,45)(H,39
InChIKey
IYMQBSYORMJKKK-YTMVLYRLSA-N
Synonyms
1574391-34-6
1574391346
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)hexanamide
75491644
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N6O6Sc123(44)39271513242131(472)35(483)36(494)34(24)25141628(30(45)2226(25)27)38189671233(46)4029(1720505)37424132118101943(32)37h8101114161921222729H679121315171820H215H3(H3845)(H3944)(H4046)t2729m0s1
N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamide
ZINC000150653379
ZINC150653379

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Available files

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