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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]glycinamide

Catalog ID
STL541443
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)CNc1ccc2c(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 C33H38N6O6S MW 646.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N6O6S/c1-19(40)35-23-11-9-20-16-27(43-2)31(44-3)32(45-4)30(20)21-10-12-24(26(41)17-22(21)23)34-18-29(42)36-25(13-15-46-5)33-38-37-28-8-6-7-14-39(28)33/h6-8,10,12,14,16-17,23,25H,9,11,13,15,18H2,1-5H3,(H,34,41)(H,35,40)(H,36,42)/t23-,25-/m0/
InChIKey
GZHATAXUCZGRNO-ZCYQVOJMSA-N
Synonyms

2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)acetamide
91638248
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)CNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H38N6O6Sc119(40)3523119201627(432)31(443)32(454)30(20)21101224(26(41)1722(21)23)341829(42)3625(1315465)333837288671439(28)33h6810121416172325H911131518H215H3(H3441)(H3540)(H3642)t2325m0s1
N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamide
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)glycinamide
ZINC000217868849
ZINC217868849

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Available files

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