Vitas-M small molecule compound

3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenylpyridazine

Catalog ID
STK632119
SMILES c1ccc(cc1)c1ccc(nn1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c1-2-4-18(5-3-1)19-7-9-22(24-23-19)26-12-10-25(11-13-26)15-17-6-8-20-21(14-17)28-16-27-20/h1-9,14H,10-13,15-16H2
InChIKey
JYSOPUCUSPOLON-UHFFFAOYSA-N
Synonyms
1081123-48-9
1081123489
3(4(13benzodioxol5ylmethyl)piperazin1yl)6phenylpyridazine
3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)6phenylpyridazine
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=CC=C5
InChI=1SC22H22N4O2c12418(531)197922(242319)26121025(111326)1517682021(1417)28162720h1914H10131516H2
MFCD12210036
ZINC000020745029
ZINC20745029

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Available files

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