Vitas-M small molecule compound
4-{[4-(cyanomethyl)phenyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STK778553
SMILES N#CCc1ccc(cc1)Nc1cc(C#N)c(cc1[N+](=O)[O-])C#N
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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 C16H9N5O2 MW 303.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N5O2/c17-6-5-11-1-3-14(4-2-11)20-15-7-12(9-18)13(10-19)8-16(15)21(22)23/h1-4,7-8,20H,5H2InChIKey
DDQDFELCKKYCKK-UHFFFAOYSA-NSynonyms
4((4(cyanomethyl)phenyl)amino)5nitrobenzene12dicarbonitrile
4(4(CYANOMETHYL)ANILINO)5NITROBENZENE12DICARBONITRILE
C1=CC(=CC=C1CC#N)NC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
InChI=1SC16H9N5O2c1765111314(4211)2015712(918)13(1019)816(15)21(22)23h147820H5H2
MFCD05856786
N#CCc1ccc(cc1)Nc1cc(C#N)c(cc1(N+)(=O)(O))C#N
ZINC000004625719
ZINC04625719
ZINC4625719
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