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-methionyl-beta-alaninate
Catalog ID
STL548316
SMILES CSCC[C@@H](C(=O)NCCC(=O)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C30H39N3O8S MW 601.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8S/c1-17(34)32-21-9-7-18-15-25(38-2)28(40-4)29(41-5)27(18)19-8-10-22(24(35)16-20(19)21)33-23(12-14-42-6)30(37)31-13-11-26(36)39-3/h8,10,15-16,21,23H,7,9,11-14H2,1-6H3,(H,31,37)(H,32,34)(H,33,35)/t21-,23-/m0/s1InChIKey
AFMHWUZPOIHVRI-GMAHTHKFSA-NSynonyms
110207790
CSCC(C@@H)(C(=O)NCCC(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8Sc117(34)322197181525(382)28(404)29(415)27(18)1981022(24(35)1620(19)21)3323(1214426)30(37)31131126(36)393h81015162123H791114H216H3(H3137)(H3234)(H3335)t2123m0s1
methyl3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)propanoate
methyl3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionylbetaalaninate
ZINC000253394709
ZINC253394709
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.