Vitas-M small molecule compound
(2E)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Catalog ID
STK396084
SMILES O=C(N1CCc2c(C1)cccc2)/C=C/c1cccc(c1)[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(9-8-14-4-3-7-17(12-14)20(22)23)19-11-10-15-5-1-2-6-16(15)13-19/h1-9,12H,10-11,13H2/b9-8+InChIKey
MEXPDDWDYZKZJM-CMDGGOBGSA-NSynonyms
349433-88-1(2E)1(34dihydroisoquinolin2(1H)yl)3(3nitrophenyl)prop2en1one
(E)1(34DIHYDRO1HISOQUINOLIN2YL)3(3NITROPHENYL)PROP2EN1ONE
349433881
C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H16N2O3c2118(981443717(1214)20(22)23)19111015512616(15)1319h1912H101113H2b98+
MFCD02603764
O=C(N1CCc2c(C1)cccc2)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000000452791
ZINC00452791
ZINC452791
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