Vitas-M small molecule compound

4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)butan-1-one

Catalog ID
STK138862
SMILES CCC(c1cc(ccc1OCCCC(=O)N1CCN(CC1)c1ccccc1)C(CC)(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 C30H44N2O2 MW 464.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O2/c1-7-29(3,4)24-16-17-27(26(23-24)30(5,6)8-2)34-22-12-15-28(33)32-20-18-31(19-21-32)25-13-10-9-11-14-25/h9-11,13-14,16-17,23H,7-8,12,15,18-22H2,1-6H3
InChIKey
SQHPZSQOOKXHRG-UHFFFAOYSA-N
Synonyms

4(24BIS(2METHYLBUTAN2YL)PHENOXY)1(4PHENYLPIPERAZIN1YL)BUTAN1ONE
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3)C(C)(C)CC
InChI=1SC30H44N2O2c1729(34)24161727(26(2324)30(56)82)3422121528(33)32201831(192132)2513109111425h9111314161723H7812151822H216H3
MFCD04588669
ZINC000009601598
ZINC09601598
ZINC9601598

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Available files

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