Vitas-M small molecule compound

methyl N-[(4-tert-butylphenyl)carbonyl]leucyl-beta-alaninate

Catalog ID
STL219384
SMILES COC(=O)CCNC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)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 C21H32N2O4 MW 376.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O4/c1-14(2)13-17(20(26)22-12-11-18(24)27-6)23-19(25)15-7-9-16(10-8-15)21(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,22,26)(H,23,25)
InChIKey
GMYDMSXXXWXWSI-UHFFFAOYSA-N
Synonyms

CC(C)CC(C(=O)NCCC(=O)OC)NC(=O)C1=CC=C(C=C1)C(C)(C)C
InChI=1SC21H32N2O4c114(2)1317(20(26)22121118(24)276)2319(25)157916(10815)21(34)5h7101417H1113H216H3(H2226)(H2325)
methyl3((2((4tertbutylbenzoyl)amino)4methylpentanoyl)amino)propanoate
methylN((4tertbutylphenyl)carbonyl)leucylbetaalaninate
MFCD19380908
ZINC000046086956
ZINC000046086958

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Available files

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