Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluorobenzonitrile
Catalog ID
STK684875
SMILES N#Cc1c(F)cccc1N1CCN(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 C19H18FN3O2 MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN3O2/c20-16-2-1-3-17(15(16)11-21)23-8-6-22(7-9-23)12-14-4-5-18-19(10-14)25-13-24-18/h1-5,10H,6-9,12-13H2InChIKey
QRLFRJXIMHCVKR-UHFFFAOYSA-NSynonyms
2(4(13benzodioxol5ylmethyl)piperazin1yl)6fluorobenzonitrile
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=CC=C4)F)C#N
InChI=1SC19H18FN3O2c201621317(15(16)1121)238622(7923)1214451819(1014)25132418h1510H691213H2
MFCD05856425
ZINC000055231304
ZINC55231304
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