Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]prop-2-en-1-one
Catalog ID
STK438114
SMILES O=C(N1CCN(CC1)c1ncccn1)/C=C/c1ccc2c(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 C18H18N4O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3/c23-17(5-3-14-2-4-15-16(12-14)25-13-24-15)21-8-10-22(11-9-21)18-19-6-1-7-20-18/h1-7,12H,8-11,13H2/b5-3+InChIKey
PQONNBGTTKCGJM-HWKANZROSA-NSynonyms
(2E)3(13benzodioxol5yl)1(4(pyrimidin2yl)piperazin1yl)prop2en1one
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)1(4PYRIMIDIN2YLPIPERAZINYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(4PYRIMIDIN2YLPIPERAZIN1YL)PROP2EN1ONE
C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC18H18N4O3c2317(5314241516(1214)25132415)2181022(11921)18196172018h1712H81113H2b53+
MFCD03393707
O=C(N1CCN(CC1)c1ncccn1)C=Cc1ccc2c(c1)OCO2
ZINC000000376624
ZINC00376624
ZINC376624
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