Vitas-M small molecule compound

methyl N-[5-(cyclododecylamino)-3-methyl-5-oxopentanoyl]phenylalaninate

Catalog ID
STK175527
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CC(CC(=O)NC1CCCCCCCCCCC1)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 C28H44N2O4 MW 472.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N2O4/c1-22(19-26(31)29-24-17-13-8-6-4-3-5-7-9-14-18-24)20-27(32)30-25(28(33)34-2)21-23-15-11-10-12-16-23/h10-12,15-16,22,24-25H,3-9,13-14,17-21H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
MIYKZCIJVHWNDX-UHFFFAOYSA-N
Synonyms

CC(CC(=O)NC1CCCCCCCCCCC1)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC
InChI=1SC28H44N2O4c122(1926(31)292417138643579141824)2027(32)3025(28(33)342)2123151110121623h10121516222425H3913141721H212H3(H2931)(H3032)
methyl2((5(cyclododecylamino)3methyl5oxopentanoyl)amino)3phenylpropanoate
METHYLN(5(CYCLODODECYLAMINO)3METHYL5OXOPENTANOYL)PHENYLALANINATE
MFCD08680280
ZINC000009892524
ZINC000009892527

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Available files

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