Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methanone

Catalog ID
STK133771
SMILES O=C(c1ccc(cc1)C#CC(O)(C)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C24H26N2O4 MW 406.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O4/c1-24(2,28)10-9-18-3-6-20(7-4-18)23(27)26-13-11-25(12-14-26)16-19-5-8-21-22(15-19)30-17-29-21/h3-8,15,28H,11-14,16-17H2,1-2H3
InChIKey
GWRIGGAQZQUBCM-UHFFFAOYSA-N
Synonyms

(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4(3HYDROXY3METHYLBUT1YN1YL)PHENYL)METHANONE
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4(3HYDROXY3METHYLBUT1YNYL)PHENYL)METHANONE
CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O
InChI=1SC24H26N2O4c124(228)109183620(7418)23(27)26131125(121426)1619582122(1519)30172921h381528H11141617H212H3
MFCD01828876
ZINC000019774846
ZINC19774846

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Available files

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