Vitas-M small molecule compound

[4-(3-chlorophenyl)piperazin-1-yl][1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

Catalog ID
STK857890
SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc2n(n1)c(C)nn2

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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 C22H26ClN7O MW 439.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN7O/c1-16-24-25-20-5-6-21(26-30(16)20)28-9-7-17(8-10-28)22(31)29-13-11-27(12-14-29)19-4-2-3-18(23)15-19/h2-6,15,17H,7-14H2,1H3
InChIKey
OMJDGALTSUQHOP-UHFFFAOYSA-N
Synonyms
1081120-18-4
(4(3chlorophenyl)piperazin1yl)(1(3methyl(124)triazolo(43b)pyridazin6yl)piperidin4yl)methanone
1081120184
CC1=NN=C2N1N=C(C=C2)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl
InChI=1SC22H26ClN7Oc1162425205621(2630(16)20)289717(81028)22(31)29131127(121429)1942318(23)1519h261517H714H21H3
MFCD12208267
ZINC000020732385
ZINC20732385

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Available files

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