Vitas-M small molecule compound

4-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-6-(morpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

Catalog ID
STK672986
SMILES Clc1cc(ccc1c1ccc(o1)/C=N/Nc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)N1CCOCC1)[N+](=O)[O-]

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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 C25H20ClF3N8O4 MW 588.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClF3N8O4/c26-20-13-17(37(38)39)4-6-19(20)21-7-5-18(41-21)14-30-35-23-32-22(33-24(34-23)36-8-10-40-11-9-36)31-16-3-1-2-15(12-16)25(27,28)29/h1-7,12-14H,8-11H2,(H2,31,32,33,34,35)/b30-14+
InChIKey
KNYKSMRTBCTAMU-AMVVHIIESA-N
Synonyms

2N((E)(5(2chloro4nitrophenyl)furan2yl)methylideneamino)6morpholin4yl4N(3(trifluoromethyl)phenyl)135triazine24diamine
4((2E)2((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)HYDRAZINYL)6(MORPHOLIN4YL)N(3(TRIFLUOROMETHYL)PHENYL)135TRIAZIN2AMINE
C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)NC5=CC=CC(=C5)C(F)(F)F
Clc1cc(ccc1c1ccc(o1)C=NNc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)N1CCOCC1)(N+)(=O)(O)
InChI=1SC25H20ClF3N8O4c26201317(37(38)39)4619(20)217518(4121)143035233222(3324(3423)368104011936)311631215(1216)25(2728)29h171214H811H2(H23132333435)b3014+
MFCD00658439
ZINC000033355149
ZINC102777783

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Available files

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