Vitas-M small molecule compound
4-[cyano(phenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STL435466
SMILES N#CC(c1cc(C#N)c(cc1[N+](=O)[O-])C#N)c1ccccc1
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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 C16H8N4O2 MW 288.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H8N4O2/c17-8-12-6-14(16(20(21)22)7-13(12)9-18)15(10-19)11-4-2-1-3-5-11/h1-7,15HInChIKey
FNYVSUBBADTHGW-UHFFFAOYSA-NSynonyms
4(cyano(phenyl)methyl)5nitrobenzene12dicarbonitrile
4(CYANOPHENYLMETHYL)5NITROBENZENE12DICARBONITRILE
C1=CC=C(C=C1)C(C#N)C2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
InChI=1SC16H8N4O2c17812614(16(20(21)22)713(12)918)15(1019)114213511h1715H
MFCD25975384
N#CC(c1cc(C#N)c(cc1(N+)(=O)(O))C#N)c1ccccc1
ZINC000066088322
ZINC000066088324
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