Vitas-M small molecule compound
[1-(nitromethyl)-3,4-dihydroisoquinolin-2(1H)-yl](phenyl)methanone
Catalog ID
STK365926
SMILES [O-][N+](=O)CC1c2ccccc2CCN1C(=O)c1ccccc1
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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 C17H16N2O3 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3/c20-17(14-7-2-1-3-8-14)18-11-10-13-6-4-5-9-15(13)16(18)12-19(21)22/h1-9,16H,10-12H2InChIKey
XYKVYOQJXDZZCQ-UHFFFAOYSA-NSynonyms
(1(NITROMETHYL)34DIHYDRO1HISOQUINOLIN2YL)PHENYLMETHANONE
(1(nitromethyl)34dihydroisoquinolin2(1H)yl)(phenyl)methanone
(O)(N+)(=O)CC1c2ccccc2CCN1C(=O)c1ccccc1
C1CN(C(C2=CC=CC=C21)C(N+)(=O)(O))C(=O)C3=CC=CC=C3
InChI=1SC17H16N2O3c2017(147213814)18111013645915(13)16(18)1219(21)22h1916H1012H2
MFCD00406604
ZINC000003151769
ZINC000003151770
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