Vitas-M small molecule compound

methyl N-[3-methyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoyl]phenylalaninate

Catalog ID
STK175532
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CC(CC(=O)N1CCN(CC1)c1ccccc1)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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-20(17-24(30)27-23(26(32)33-2)19-21-9-5-3-6-10-21)18-25(31)29-15-13-28(14-16-29)22-11-7-4-8-12-22/h3-12,20,23H,13-19H2,1-2H3,(H,27,30)
InChIKey
CQPWXAGTJUXFTA-UHFFFAOYSA-N
Synonyms

CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)CC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI=1SC26H33N3O4c120(1724(30)2723(26(32)332)192195361021)1825(31)29151328(141629)22117481222h3122023H1319H212H3(H2730)
methyl2((3methyl5oxo5(4phenylpiperazin1yl)pentanoyl)amino)3phenylpropanoate
METHYLN(3METHYL5OXO5(4PHENYLPIPERAZIN1YL)PENTANOYL)PHENYLALANINATE
MFCD08680285
ZINC000009892528
ZINC000009892531

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Available files

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