Vitas-M small molecule compound
benzyl (2Z)-3-(benzylamino)-2-nitroprop-2-enoate
Catalog ID
STK085097
SMILES [O-][N+](=O)/C(=C\NCc1ccccc1)/C(=O)OCc1ccccc1
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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 C17H16N2O4 MW 312.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4/c20-17(23-13-15-9-5-2-6-10-15)16(19(21)22)12-18-11-14-7-3-1-4-8-14/h1-10,12,18H,11,13H2/b16-12-InChIKey
TWWXTJOZIRQFLV-VBKFSLOCSA-NSynonyms
304871-93-0(O)(N+)(=O)C(=CNCc1ccccc1)C(=O)OCc1ccccc1
(Z)benzyl3(benzylamino)2nitroacrylate
304871930
BENZYL(2Z)3(BENZYLAMINO)2NITROPROP2ENOATE
BENZYL(Z)3(BENZYLAMINO)2NITROPROP2ENOATE
C1=CC=C(C=C1)CNC=C(C(=O)OCC2=CC=CC=C2)(N+)(=O)(O)
InChI=1SC17H16N2O4c2017(23131595261015)16(19(21)22)121811147314814h1101218H1113H2b1612
MFCD00396911
STK085097
ZINC000020792005
ZINC20792005
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