Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STK050770
SMILES O=C(N1CCc2c(C1)cccc2)/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 C19H17NO3 MW 307.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO3/c21-19(20-10-9-15-3-1-2-4-16(15)12-20)8-6-14-5-7-17-18(11-14)23-13-22-17/h1-8,11H,9-10,12-13H2/b8-6+InChIKey
PVKRITUAFNEFSC-SOFGYWHQSA-NSynonyms
349578-09-2(2E)3(13BENZODIOXOL5YL)1(34DIHYDROISOQUINOLIN2(1H)YL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(34DIHYDRO1HISOQUINOLIN2YL)PROP2EN1ONE
(E)3(benzo(d)(13)dioxol5yl)1(34dihydroisoquinolin2(1H)yl)prop2en1one
349578092
C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC19H17NO3c2119(2010915312416(15)1220)8614571718(1114)23132217h1811H9101213H2b86+
MFCD02603798
O=C(N1CCc2c(C1)cccc2)C=Cc1ccc2c(c1)OCO2
STK050770
ZINC000000454519
ZINC00454519
ZINC454519
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