Vitas-M small molecule compound

2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide

Catalog ID
STL003745
SMILES O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)N/N=C/c1c(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 C20H16ClFN10O3 MW 498.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN10O3/c21-12-5-3-6-13(22)11(12)8-26-28-20(34)16-15(32(31-27-16)19-17(23)29-35-30-19)9-25-14-7-2-1-4-10(14)18(24)33/h1-8,25H,9H2,(H2,23,29)(H2,24,33)(H,28,34)/b26-8+
InChIKey
AOZTXAJSGVWCFN-MWRNPHMMSA-N
Synonyms
849007-61-0
(E)2(((1(4amino125oxadiazol3yl)4(2(2chloro6fluorobenzylidene)hydrazinecarbonyl)1H123triazol5yl)methyl)amino)benzamide
1(4AMINO125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
2(((1(4amino125oxadiazol3yl)4(((2E)2(2chloro6fluorobenzylidene)hydrazinyl)carbonyl)1H123triazol5yl)methyl)amino)benzamide
849007610
C1=CC=C(C(=C1)C(=O)N)NCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)F
InChI=1SC20H16ClFN10O3c211253613(22)11(12)8262820(34)1615(32(312716)1917(23)29353019)92514721410(14)18(24)33h1825H9H2(H22329)(H22433)(H2834)b268+
MFCD05680404
O=C(c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1N)NN=Cc1c(F)cccc1Cl
ZINC000002450858
ZINC4465050

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Available files

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