Vitas-M small molecule compound

2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-tert-butylphenyl)cyclohexane-1,3-dione

Catalog ID
STK143173
SMILES CC(=O)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(cc1)C(C)(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 C25H35N3O3 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N3O3/c1-18(29)28-13-11-27(12-14-28)10-9-26-17-22-23(30)15-20(16-24(22)31)19-5-7-21(8-6-19)25(2,3)4/h5-8,17,20,26H,9-16H2,1-4H3/b22-17-
InChIKey
VQSPOKCQBQECGH-XLNRJJMWSA-N
Synonyms

2(((2(4acetylpiperazin1yl)ethyl)amino)methylidene)5(4tertbutylphenyl)cyclohexane13dione
CC(=O)N1CCN(CC1)CCNC=C1C(=O)CC(CC1=O)c1ccc(cc1)C(C)(C)C
MFCD03143422
ZINC000100424907

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Available files

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