Vitas-M small molecule compound
N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-beta-alanine
Catalog ID
STL544686
SMILES CSCC[C@@H](C(=O)NCCC(=O)O)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 C29H37N3O8S MW 587.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8S/c1-16(33)31-20-8-6-17-14-24(38-2)27(39-3)28(40-4)26(17)18-7-9-21(23(34)15-19(18)20)32-22(11-13-41-5)29(37)30-12-10-25(35)36/h7,9,14-15,20,22H,6,8,10-13H2,1-5H3,(H,30,37)(H,31,33)(H,32,34)(H,35,36)/t20-,22-/m0/s1InChIKey
CWQHMPFPMCMXGU-UNMCSNQZSA-NSynonyms
110207151
3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)propanoicacid
3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)propanoicacid
CSCC(C@@H)(C(=O)NCCC(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H37N3O8Sc116(33)312086171424(382)27(393)28(404)26(17)187921(23(34)1519(18)20)3222(1113415)29(37)30121025(35)36h7914152022H681013H215H3(H3037)(H3133)(H3234)(H3536)t2022m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionylbetaalanine
ZINC000253399370
ZINC253399370
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.