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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-methyl-1H-imidazol-2-yl)(phenyl)methyl]-L-valinamide

Catalog ID
STL545885
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC(c2nccn2C)c2ccccc2)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 C37H43N5O6 MW 653.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43N5O6/c1-21(2)32(37(45)41-33(23-11-9-8-10-12-23)36-38-17-18-42(36)4)40-28-16-14-25-26(20-29(28)44)27(39-22(3)43)15-13-24-19-30(46-5)34(47-6)35(48-7)31(24)25/h8-12,14,16-21,27,32-33H,13,15H2,1-7H3,(H,39,43)(H,40,44)(H,41,45)/t27-,32-,33?/m0/s
InChIKey
RXCNEKJSNDXPOJ-JIDAYYRESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1methylimidazol2yl)phenylmethyl)butanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((1methyl1Himidazol2yl)(phenyl)methyl)butanamide
121541590
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC(c2nccn2C)c2ccccc2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H43N5O6c121(2)32(37(45)4133(231198101223)3638171842(36)4)402816142526(2029(28)44)27(3922(3)43)1513241930(465)34(476)35(487)31(24)25h812141621273233H1315H217H3(H3943)(H4044)(H4145)t273233?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Himidazol2yl)(phenyl)methyl)Lvalinamide
ZINC000263586268
ZINC000263586269

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Available files

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