Vitas-M small molecule compound

N-(4-fluorophenyl)-4-[(2E)-2-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}hydrazinyl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine

Catalog ID
STK673890
SMILES COc1cc(/C=N/Nc2nc(Nc3ccc(cc3)F)nc(n2)N2CCOCC2)ccc1Oc1ccc(cc1[N+](=O)[O-])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 C28H24F4N8O5 MW 628.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24F4N8O5/c1-43-24-14-17(2-8-23(24)45-22-9-3-18(28(30,31)32)15-21(22)40(41)42)16-33-38-26-35-25(34-20-6-4-19(29)5-7-20)36-27(37-26)39-10-12-44-13-11-39/h2-9,14-16H,10-13H2,1H3,(H2,34,35,36,37,38)/b33-16+
InChIKey
YZJWYYATWYEEEM-MHDJOFBISA-N
Synonyms

4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)3METHOXYBENZALDEHYDE(4(4FLUOROANILINO)6(4MORPHOLINYL)135TRIAZIN2YL)HYDRAZONE
4N(4fluorophenyl)2N((E)(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)6morpholin4yl135triazine24diamine
COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N4CCOCC4)OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
COc1cc(C=NNc2nc(Nc3ccc(cc3)F)nc(n2)N2CCOCC2)ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC28H24F4N8O5c143241417(2823(24)45229318(28(3031)32)1521(22)40(41)42)163338263525(34206419(29)5720)3627(3726)39101244131139h291416H1013H21H3(H23435363738)b3316+
MFCD01066345
N(4fluorophenyl)4((2E)2(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)hydrazinyl)6(morpholin4yl)135triazin2amine
ZINC000008443291
ZINC150638772

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Available files

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