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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-isoleucinamide

Catalog ID
STL540632
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)[C@H]([C@@H](CC)C)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 C37H46N6O6S MW 702.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N6O6S/c1-8-21(2)33(37(46)40-28(16-18-50-7)36-42-41-31-11-9-10-17-43(31)36)39-27-15-13-24-25(20-29(27)45)26(38-22(3)44)14-12-23-19-30(47-4)34(48-5)35(49-6)32(23)24/h9-11,13,15,17,19-21,26,28,33H,8,12,14,16,18H2,1-7H3,(H,38,44)(H,39,45)(H,40,
InChIKey
NREVSXKMWCWYLC-MQIQSBOUSA-N
Synonyms
1574289-49-8
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)pentanamide
(2S3R)N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
1574289498
75491036
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N6O6Sc1821(2)33(37(46)4028(1618507)36424131119101743(31)36)392715132425(2029(27)45)26(3822(3)44)1412231930(474)34(485)35(496)32(23)24h9111315171921262833H812141618H217H3(H3844)(H3945)(H4046)t2126+28+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)Lisoleucinamide
ZINC000150652984
ZINC150652984

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Available files

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