Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-{3-[(2-fluorobenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK557801
SMILES O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1F

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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 C23H20FN9O3S2 MW 553.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN9O3S2/c24-17-7-2-1-5-15(17)12-35-16-6-3-4-14(10-16)11-27-29-22(34)19-18(13-38-23-26-8-9-37-23)33(32-28-19)21-20(25)30-36-31-21/h1-7,10-11H,8-9,12-13H2,(H2,25,30)(H,29,34)/b27-11+
InChIKey
YQEJKFNNKMNZBC-LUOAPIJWSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)N(3((2fluorobenzyl)oxy)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)N((E)(3((2fluorobenzyl)oxy)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(45DIHYDRO13THIAZOL2YLSULFANYLMETHYL)N((E)(3((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)OCC5=CC=CC=C5F
InChI=1SC23H20FN9O3S2c2417721515(17)12351663414(1016)11272922(34)1918(13382326893723)33(322819)2120(25)30363121h171011H891213H2(H22530)(H2934)b2711+
MFCD03340143
O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)NN=Cc1cccc(c1)OCc1ccccc1F
ZINC000002588288
ZINC102478775

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Available files

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