Vitas-M small molecule compound
methyl 4-[(E)-{2-[4-(methylamino)-6-{[3-(trifluoromethyl)phenyl]amino}-1,3,5-triazin-2-yl]hydrazinylidene}methyl]benzoate
Catalog ID
STK674696
SMILES CNc1nc(N/N=C/c2ccc(cc2)C(=O)OC)nc(n1)Nc1cccc(c1)C(F)(F)F
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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 C20H18F3N7O2 MW 445.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N7O2/c1-24-17-27-18(26-15-5-3-4-14(10-15)20(21,22)23)29-19(28-17)30-25-11-12-6-8-13(9-7-12)16(31)32-2/h3-11H,1-2H3,(H3,24,26,27,28,29,30)/b25-11+InChIKey
WVUUVGZUSSRNAS-OPEKNORGSA-NSynonyms
CNC1=NC(=NC(=N1)NC2=CC=CC(=C2)C(F)(F)F)NN=CC3=CC=C(C=C3)C(=O)OC
CNc1nc(NN=Cc2ccc(cc2)C(=O)OC)nc(n1)Nc1cccc(c1)C(F)(F)F
InChI=1SC20H18F3N7O2c124172718(261553414(1015)20(2122)23)2919(2817)302511126813(9712)16(31)322h311H12H3(H3242627282930)b2511+
methyl4((E)((4(methylamino)6(3(trifluoromethyl)anilino)135triazin2yl)hydrazinylidene)methyl)benzoate
METHYL4((E)(2(4(METHYLAMINO)6((3(TRIFLUOROMETHYL)PHENYL)AMINO)135TRIAZIN2YL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD00606584
ZINC000006136077
ZINC33909129
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