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-alanyl-beta-alaninate
Catalog ID
STL544529
SMILES COC(=O)CCNC(=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 C28H35N3O8 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O8/c1-15(28(35)29-12-11-24(34)37-4)30-21-10-8-18-19(14-22(21)33)20(31-16(2)32)9-7-17-13-23(36-3)26(38-5)27(39-6)25(17)18/h8,10,13-15,20H,7,9,11-12H2,1-6H3,(H,29,35)(H,30,33)(H,31,32)/t15-,20-/m0/s1InChIKey
YGJPWBSTKPUQDM-YWZLYKJASA-NSynonyms
110207190
COC(=O)CCNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC28H35N3O8c115(28(35)29121124(34)374)30211081819(1422(21)33)20(3116(2)32)97171323(363)26(385)27(396)25(17)18h810131520H791112H216H3(H2935)(H3033)(H3132)t1520m0s1
methyl3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)propanoate
methyl3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanylbetaalaninate
ZINC000253414691
ZINC253414691
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.