Vitas-M small molecule compound
3-{[(1E)-3-(2,5-dimethylphenyl)-3-oxoprop-1-en-1-yl]amino}benzonitrile
Catalog ID
STK902671
SMILES N#Cc1cccc(c1)N/C=C/C(=O)c1cc(C)ccc1C
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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 C18H16N2O MW 276.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O/c1-13-6-7-14(2)17(10-13)18(21)8-9-20-16-5-3-4-15(11-16)12-19/h3-11,20H,1-2H3/b9-8+InChIKey
LFLOEKWTEBENDD-CMDGGOBGSA-NSynonyms
3(((1E)3(25dimethylphenyl)3oxoprop1en1yl)amino)benzonitrile
3(((E)3(25dimethylphenyl)3oxoprop1enyl)amino)benzonitrile
CC1=CC(=C(C=C1)C)C(=O)C=CNC2=CC=CC(=C2)C#N
InChI=1SC18H16N2Oc1136714(2)17(1013)18(21)89201653415(1116)1219h31120H12H3b98+
MFCD18175179
N#Cc1cccc(c1)NC=CC(=O)c1cc(C)ccc1C
ZINC000044844429
ZINC44844429
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