Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl-beta-alaninate
Catalog ID
STL544922
SMILES COC(=O)CCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-17(2)14-24(31(38)32-13-12-27(37)40-5)34-23-11-9-20-21(16-25(23)36)22(33-18(3)35)10-8-19-15-26(39-4)29(41-6)30(42-7)28(19)20/h9,11,15-17,22,24H,8,10,12-14H2,1-7H3,(H,32,38)(H,33,35)(H,34,36)/t22-,24-/m0/s1InChIKey
HOFLRMFCFIGSNR-UPVQGACJSA-NSynonyms
110206605
COC(=O)CCNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC31H41N3O8c117(2)1424(31(38)32131227(37)405)34231192021(1625(23)36)22(3318(3)35)108191526(394)29(416)30(427)28(19)20h91115172224H8101214H217H3(H3238)(H3335)(H3436)t2224m0s1
methyl3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)propanoate
methyl3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucylbetaalaninate
ZINC000253403911
ZINC253403911
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.