Vitas-M small molecule compound

[4-(4-hydroxy-4,4-diphenylbut-2-yn-1-yl)piperazin-1-yl](phenyl)methanone

Catalog ID
STK686151
SMILES O=C(c1ccccc1)N1CCN(CC1)CC#CC(c1ccccc1)(c1ccccc1)O

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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 C27H26N2O2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2/c30-26(23-11-4-1-5-12-23)29-21-19-28(20-22-29)18-10-17-27(31,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,31H,18-22H2
InChIKey
FMMOQPLIUVIDKK-UHFFFAOYSA-N
Synonyms

(4(4hydroxy44diphenylbut2yn1yl)piperazin1yl)(phenyl)methanone
(4(4HYDROXY44DIPHENYLBUT2YNYL)PIPERAZIN1YL)PHENYLMETHANONE
4(4HYDROXY44DIPHENYLBUT2YNYL)PIPERAZINYLPHENYLKETONE
C1CN(CCN1CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4
InChI=1SC27H26N2O2c3026(23114151223)29211928(202229)18101727(3124136271424)25158391625h19111631H1822H2
MFCD06014786
ZINC000019874561
ZINC19874561

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Available files

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