Vitas-M small molecule compound
(2E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK402156
SMILES O=C(Nc1ccc2c(c1)OCCO2)/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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c20-17(7-4-12-2-1-3-14(10-12)19(21)22)18-13-5-6-15-16(11-13)24-9-8-23-15/h1-7,10-11H,8-9H2,(H,18,20)/b7-4+InChIKey
KKCPBVOFSOCOPG-QPJJXVBHSA-NSynonyms
544458-62-0(2E)N(23dihydro14benzodioxin6yl)3(3nitrophenyl)prop2enamide
(E)N(23DIHYDRO14BENZODIOXIN6YL)3(3NITROPHENYL)PROP2ENAMIDE
544458620
C1COC2=C(O1)C=CC(=C2)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC17H14N2O5c2017(741221314(1012)19(21)22)1813561516(1113)24982315h171011H89H2(H1820)b74+
MFCD02174843
O=C(Nc1ccc2c(c1)OCCO2)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001152882
ZINC01152882
ZINC1152882
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