Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-{(E)-[3-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK546630
SMILES O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C/c1cccc(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 C22H18F3N9O2 MW 497.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N9O2/c23-22(24,25)15-6-3-4-13(10-15)11-27-29-21(35)18-17(34(32-28-18)20-19(26)30-36-31-20)12-33-9-8-14-5-1-2-7-16(14)33/h1-7,10-11H,8-9,12H2,(H2,26,30)(H,29,35)/b27-11+
InChIKey
MZTHWRODEZCYGW-LUOAPIJWSA-N
Synonyms
488858-00-0
(E)1(4amino125oxadiazol3yl)5(indolin1ylmethyl)N(3(trifluoromethyl)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(23dihydro1Hindol1ylmethyl)N((E)(3(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(23DIHYDROINDOL1YLMETHYL)N((E)(3(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
488858000
C1CN(C2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC(=CC=C5)C(F)(F)F
InChI=1SC22H18F3N9O2c2322(2425)1563413(1015)11272921(35)1817(34(322818)2019(26)30363120)12339814512716(14)33h171011H8912H2(H22630)(H2935)b2711+
MFCD03295041
O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)NN=Cc1cccc(c1)C(F)(F)F
ZINC000002218952
ZINC33350750

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.