Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-4-cyanobenzamide

Catalog ID
STL189428
SMILES N#Cc1ccc(cc1)C(=O)NCc1ccc2c(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 C16H12N2O3 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3/c17-8-11-1-4-13(5-2-11)16(19)18-9-12-3-6-14-15(7-12)21-10-20-14/h1-7H,9-10H2,(H,18,19)
InChIKey
HYVVICTULOPOBU-UHFFFAOYSA-N
Synonyms
801256-64-4
801256644
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#N
InChI=1SC16H12N2O3c178111413(5211)16(19)18912361415(712)21102014h17H910H2(H1819)
MFCD04603785
N(13benzodioxol5ylmethyl)4cyanobenzamide
ZINC000006471940
ZINC06471940
ZINC6471940

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Available files

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