Vitas-M small molecule compound
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK445985
SMILES O=C(c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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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 C28H22F3N3O3 MW 505.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F3N3O3/c29-28(30,31)19-4-3-5-20(15-19)33-10-12-34(13-11-33)27(35)22-16-24(32-23-7-2-1-6-21(22)23)18-8-9-25-26(14-18)37-17-36-25/h1-9,14-16H,10-13,17H2InChIKey
MFNADKRJFYAQTI-UHFFFAOYSA-NSynonyms
(2(13benzodioxol5yl)quinolin4yl)(4(3(trifluoromethyl)phenyl)piperazin1yl)methanone
2(2HBENZO(34D)13DIOXOLAN5YL)(4QUINOLYL)4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYLKETONE
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6
InChI=1SC28H22F3N3O3c2928(3031)1943520(1519)33101234(131133)27(35)221624(3223721621(22)23)18892526(1418)37173625h191416H101317H2
MFCD02054957
ZINC000020533855
ZINC20533855
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