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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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-L-valinamide

Catalog ID
STL547631
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCc2nnc3n2cccc3)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 C33H38N6O6 MW 614.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N6O6/c1-18(2)30(33(42)34-17-28-38-37-27-9-7-8-14-39(27)28)36-24-13-11-21-22(16-25(24)41)23(35-19(3)40)12-10-20-15-26(43-4)31(44-5)32(45-6)29(20)21/h7-9,11,13-16,18,23,30H,10,12,17H2,1-6H3,(H,34,42)(H,35,40)(H,36,41)/t23-,30-/m0/s1
InChIKey
HLDFGQIWFSRZBT-JHOBJCJYSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((124)triazolo(43a)pyridin3ylmethyl)butanamide
(S)N((124)triazolo(43a)pyridin3ylmethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
110206063
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCc2nnc3n2cccc3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H38N6O6c118(2)30(33(42)3417283837279781439(27)28)362413112122(1625(24)41)23(3519(3)40)1210201526(434)31(445)32(456)29(20)21h79111316182330H101217H216H3(H3442)(H3540)(H3641)t2330m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((124)triazolo(43a)pyridin3ylmethyl)Lvalinamide
ZINC000253403792
ZINC253403792

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Available files

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