Vitas-M small molecule compound

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one

Catalog ID
STL247253
SMILES O=C(N1CCN(CC1)Cc1ccccc1)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 C22H28N4O2 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2/c27-21-15-19-9-5-2-6-10-20(19)23-26(21)17-22(28)25-13-11-24(12-14-25)16-18-7-3-1-4-8-18/h1,3-4,7-8,15H,2,5-6,9-14,16-17H2
InChIKey
TXQXPFLJUYDDTK-UHFFFAOYSA-N
Synonyms
1374539-44-2
1374539442
2(2(4benzylpiperazin1yl)2oxoethyl)256789hexahydro3Hcyclohepta(c)pyridazin3one
2(2(4benzylpiperazin1yl)2oxoethyl)6789tetrahydro2Hcyclohepta(c)pyridazin3(5H)one
2(2(4benzylpiperazin1yl)2oxoethyl)6789tetrahydro5Hcyclohepta(c)pyridazin3one
C1CCC2=CC(=O)N(N=C2CC1)CC(=O)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC22H28N4O2c2721151995261020(19)2326(21)1722(28)25131124(121425)16187314818h1347815H2569141617H2
MFCD22202100
ZINC000072403319
ZINC72403319

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Available files

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