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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-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-alaninamide

Catalog ID
STL548158
SMILES COc1ccc(cc1OC)C(C(C)C)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H45N3O8 MW 647.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O8/c1-19(2)33(23-11-15-29(43-5)30(17-23)44-6)39-36(42)20(3)37-27-14-12-24-25(18-28(27)41)26(38-21(4)40)13-10-22-16-31(45-7)34(46-8)35(47-9)32(22)24/h11-12,14-20,26,33H,10,13H2,1-9H3,(H,37,41)(H,38,40)(H,39,42)/t20-,26-,33?/m0/s1
InChIKey
YYXWVWSTOYJJJP-VYODYDJJSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)propanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)propanamide
121541503
COc1ccc(cc1OC)C(C(C)C)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H45N3O8c119(2)33(23111529(435)30(1723)446)3936(42)20(3)372714122425(1828(27)41)26(3821(4)40)1310221631(457)34(468)35(479)32(22)24h111214202633H1013H219H3(H3741)(H3840)(H3942)t202633?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(34dimethoxyphenyl)2methylpropyl)Lalaninamide
ZINC000263586861
ZINC000263586862

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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