Vitas-M small molecule compound
2-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Catalog ID
STL315805
SMILES Clc1cccc(c1)CN1CCN(CC1)Cn1nc2CCCCCc2cc1=O
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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 C21H27ClN4O MW 386.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O/c22-19-7-4-5-17(13-19)15-24-9-11-25(12-10-24)16-26-21(27)14-18-6-2-1-3-8-20(18)23-26/h4-5,7,13-14H,1-3,6,8-12,15-16H2InChIKey
IZKMJTPWBKTJMX-UHFFFAOYSA-NSynonyms
1401568-53-31401568533
2((4((3chlorophenyl)methyl)piperazin1yl)methyl)6789tetrahydro5Hcyclohepta(c)pyridazin3one
2((4(3chlorobenzyl)piperazin1yl)methyl)256789hexahydro3Hcyclohepta(c)pyridazin3one
2((4(3chlorobenzyl)piperazin1yl)methyl)6789tetrahydro2Hcyclohepta(c)pyridazin3(5H)one
C1CCC2=CC(=O)N(N=C2CC1)CN3CCN(CC3)CC4=CC(=CC=C4)Cl
InChI=1SC21H27ClN4Oc221974517(1319)152491125(121024)162621(27)14186213820(18)2326h4571314H1368121516H2
MFCD22584716
ZINC000079488840
ZINC79488840
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