Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-(4-nitrobenzyl)ethanamine
Catalog ID
STK145916
SMILES [O-][N+](=O)c1ccc(cc1)CNCCc1ccc2c(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 C16H16N2O4 MW 300.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4/c19-18(20)14-4-1-13(2-5-14)10-17-8-7-12-3-6-15-16(9-12)22-11-21-15/h1-6,9,17H,7-8,10-11H2InChIKey
TUECNEYTOGNNOJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)CNCCc1ccc2c(c1)OCO2
2(13BENZODIOXOL5YL)N((4NITROPHENYL)METHYL)ETHANAMINE
2(13BENZODIOXOL5YL)N(4NITROBENZYL)ETHANAMINE
C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H16N2O4c1918(20)144113(2514)10178712361516(912)22112115h16917H781011H2
MFCD01135861
ZINC000019720509
ZINC19720509
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