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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-benzimidazol-2-yl)methyl]-L-valinamide

Catalog ID
STL540063
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1nc2c(n1C)cccc2)C(C)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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-19(2)32(35(43)36-18-30-38-25-10-8-9-11-27(25)40(30)4)39-26-15-13-22-23(17-28(26)42)24(37-20(3)41)14-12-21-16-29(44-5)33(45-6)34(46-7)31(21)22/h8-11,13,15-17,19,24,32H,12,14,18H2,1-7H3,(H,36,43)(H,37,41)(H,39,42)/t24-,32-/m0/s1
InChIKey
OSEZKZKNRVRCBU-BNHRFMORSA-N
Synonyms
1574353-48-2
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1methylbenzimidazol2yl)methyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((1methyl1Hbenzo(d)imidazol2yl)methyl)butanamide
1574353482
75492554
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCc1nc2c(n1C)cccc2)C(C)C
InChI=1SC35H41N5O6c119(2)32(35(43)361830382510891127(25)40(30)4)392615132223(1728(26)42)24(3720(3)41)1412211629(445)33(456)34(467)31(21)22h811131517192432H121418H217H3(H3643)(H3741)(H3942)t2432m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Hbenzimidazol2yl)methyl)Lvalinamide
ZINC000108451473
ZINC108451473

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Available files

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