Vitas-M small molecule compound

N-(3-chlorophenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide

Catalog ID
STK659243
SMILES O=C(C1CCCN(C1)c1ccc2n(n1)c(nn2)C(F)(F)F)Nc1cccc(c1)Cl

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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 C18H16ClF3N6O MW 424.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClF3N6O/c19-12-4-1-5-13(9-12)23-16(29)11-3-2-8-27(10-11)15-7-6-14-24-25-17(18(20,21)22)28(14)26-15/h1,4-7,9,11H,2-3,8,10H2,(H,23,29)
InChIKey
ILIWDLJGCXQOPF-UHFFFAOYSA-N
Synonyms
1144439-50-8
1144439508
C1CC(CN(C1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)C(=O)NC4=CC(=CC=C4)Cl
InChI=1SC18H16ClF3N6Oc191241513(912)2316(29)1132827(1011)157614242517(18(2021)22)28(14)2615h147911H23810H2(H2329)
MFCD12218595
N(3chlorophenyl)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)piperidine3carboxamide
ZINC000032106514
ZINC000032106516

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Available files

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