Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-benzyl-2-cyanoprop-2-enamide

Catalog ID
STK415222
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCc1ccccc1

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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 C18H14N2O3 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3/c19-10-15(18(21)20-11-13-4-2-1-3-5-13)8-14-6-7-16-17(9-14)23-12-22-16/h1-9H,11-12H2,(H,20,21)/b15-8+
InChIKey
MMEFDZQZCSTJGC-OVCLIPMQSA-N
Synonyms

(2E)3(13benzodioxol5yl)Nbenzyl2cyanoprop2enamide
(E)3(13BENZODIOXOL5YL)NBENZYL2CYANOPROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3
InChI=1SC18H14N2O3c191015(18(21)2011134213513)814671617(914)23122216h19H1112H2(H2021)b158+
MFCD01441359
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)NCc1ccccc1
ZINC000000268378
ZINC00268378
ZINC268378

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.