Vitas-M small molecule compound

methyl N-{5-[(4-cyanophenyl)amino]-3-methyl-5-oxopentanoyl}leucinate

Catalog ID
STK150862
SMILES COC(=O)C(NC(=O)CC(CC(=O)Nc1ccc(cc1)C#N)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 C20H27N3O4 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4/c1-13(2)9-17(20(26)27-4)23-19(25)11-14(3)10-18(24)22-16-7-5-15(12-21)6-8-16/h5-8,13-14,17H,9-11H2,1-4H3,(H,22,24)(H,23,25)
InChIKey
YIMCDCJSTAVAGU-UHFFFAOYSA-N
Synonyms

CC(C)CC(C(=O)OC)NC(=O)CC(C)CC(=O)NC1=CC=C(C=C1)C#N
InChI=1SC20H27N3O4c113(2)917(20(26)274)2319(25)1114(3)1018(24)22167515(1221)6816h58131417H911H214H3(H2224)(H2325)
METHYL2((5(4CYANOANILINO)3METHYL5OXOPENTANOYL)AMINO)4METHYLPENTANOATE
METHYLN(5((4CYANOPHENYL)AMINO)3METHYL5OXOPENTANOYL)LEUCINATE
MFCD08673693
ZINC000004694230
ZINC000004694235

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Available files

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