Vitas-M small molecule compound
(2E)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Catalog ID
STL199845
SMILES O=C(N1CCc2c(C1)cccc2)/C=C/c1ccc(cc1)[N+](=O)[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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c21-18(10-7-14-5-8-17(9-6-14)20(22)23)19-12-11-15-3-1-2-4-16(15)13-19/h1-10H,11-13H2/b10-7+InChIKey
NIAYPBPEZFDPNA-JXMROGBWSA-NSynonyms
(2E)1(34dihydroisoquinolin2(1H)yl)3(4nitrophenyl)prop2en1one
(E)1(34DIHYDRO1HISOQUINOLIN2YL)3(4NITROPHENYL)PROP2EN1ONE
C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H16N2O3c2118(107145817(9614)20(22)23)19121115312416(15)1319h110H1113H2b107+
MFCD02211198
O=C(N1CCc2c(C1)cccc2)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000000445471
ZINC00445471
ZINC445471
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