Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL004079
SMILES O=C(c1nnn(c1C(C)C)c1nonc1N)N/N=C/c1cccc(c1)OCc1c(F)cccc1Cl

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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 C22H20ClFN8O3 MW 498.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN8O3/c1-12(2)19-18(27-31-32(19)21-20(25)29-35-30-21)22(33)28-26-10-13-5-3-6-14(9-13)34-11-15-16(23)7-4-8-17(15)24/h3-10,12H,11H2,1-2H3,(H2,25,29)(H,28,33)/b26-10+
InChIKey
CEXPFGIJHUDJCL-NSKAYECMSA-N
Synonyms
587001-31-8
(E)1(4amino125oxadiazol3yl)N(3((2chloro6fluorobenzyl)oxy)benzylidene)5isopropyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3((2chloro6fluorobenzyl)oxy)phenyl)methylidene)5(propan2yl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(3((2CHLORO6FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)5PROPAN2YLTRIAZOLE4CARBOXAMIDE
587001318
CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=C(C=CC=C4Cl)F
InChI=1SC22H20ClFN8O3c112(2)1918(273132(19)2120(25)29353021)22(33)2826101353614(913)34111516(23)74817(15)24h31012H11H212H3(H22529)(H2833)b2610+
MFCD04033596
O=C(c1nnn(c1C(C)C)c1nonc1N)NN=Cc1cccc(c1)OCc1c(F)cccc1Cl
ZINC000002397633
ZINC33365136

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Available files

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