Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
Catalog ID
STL240931
SMILES O=C(C1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F)Nc1ccc2c(c1)OCCO2
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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 C20H19F3N6O3 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N6O3/c21-20(22,23)19-26-25-16-3-4-17(27-29(16)19)28-7-5-12(6-8-28)18(30)24-13-1-2-14-15(11-13)32-10-9-31-14/h1-4,11-12H,5-10H2,(H,24,30)InChIKey
SHTJZWOZVMKDQE-UHFFFAOYSA-NSynonyms
1081132-84-41081132844
C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCCO3)C4=NN5C(=NN=C5C(F)(F)F)C=C4
InChI=1SC20H19F3N6O3c2120(2223)192625163417(2729(16)19)287512(6828)18(30)2413121415(1113)321093114h141112H510H2(H2430)
MFCD12205626
N(23dihydro14benzodioxin6yl)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)piperidine4carboxamide
N(23dihydrobenzo(b)(14)dioxin6yl)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)piperidine4carboxamide
ZINC000010506418
ZINC10506418
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