Vitas-M small molecule compound

4-[(E)-{2-[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]benzonitrile

Catalog ID
STL427946
SMILES N#Cc1ccc(cc1)/C=N/Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1

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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 C21H20N8O MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O/c22-14-16-6-8-17(9-7-16)15-23-28-20-25-19(24-18-4-2-1-3-5-18)26-21(27-20)29-10-12-30-13-11-29/h1-9,15H,10-13H2,(H2,24,25,26,27,28)/b23-15+
InChIKey
WIHQDXLATUGBTK-HZHRSRAPSA-N
Synonyms

4((1E)2((4MORPHOLIN4YL6(PHENYLAMINO)(135TRIAZIN2YL))AMINO)2AZAVINYL)BENZENECARBONITRILE
4((E)((4anilino6morpholin4yl135triazin2yl)hydrazinylidene)methyl)benzonitrile
4((E)(2(4(morpholin4yl)6(phenylamino)135triazin2yl)hydrazinylidene)methyl)benzonitrile
C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)C#N)NC4=CC=CC=C4
InChI=1SC21H20N8Oc2214166817(9716)152328202519(24184213518)2621(2720)29101230131129h1915H1013H2(H22425262728)b2315+
MFCD00287502
N#Cc1ccc(cc1)C=NNc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
ZINC000005129589
ZINC30293508

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Available files

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