Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
Catalog ID
STL236233
SMILES O=C(C1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F)Nc1ccc2c(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 C19H17F3N6O3 MW 434.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N6O3/c20-19(21,22)18-25-24-15-3-4-16(26-28(15)18)27-7-5-11(6-8-27)17(29)23-12-1-2-13-14(9-12)31-10-30-13/h1-4,9,11H,5-8,10H2,(H,23,29)InChIKey
XPRLADBFCKHGEL-UHFFFAOYSA-NSynonyms
1081147-68-31081147683
C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NN5C(=NN=C5C(F)(F)F)C=C4
InChI=1SC19H17F3N6O3c2019(2122)182524153416(2628(15)18)277511(6827)17(29)2312121314(912)31103013h14911H5810H2(H2329)
MFCD12210278
N(13benzodioxol5yl)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)piperidine4carboxamide
N(benzo(d)(13)dioxol5yl)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)piperidine4carboxamide
ZINC000020745408
ZINC20745408
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