Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)ammonio]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STK568133
SMILES O=C(c1nnn(c1C[NH2+]c1ccccc1C(=O)N)c1nonc1N)N/N=C/c1ccccc1C(=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 C21H18N10O5 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N10O5/c22-17-19(29-36-28-17)31-15(10-24-14-8-4-3-7-13(14)18(23)32)16(26-30-31)20(33)27-25-9-11-5-1-2-6-12(11)21(34)35/h1-9,24H,10H2,(H2,22,28)(H2,23,32)(H,27,33)(H,34,35)/b25-9+InChIKey
TXAGUNCBFLWGIG-YCPBAFNGSA-NSynonyms
861116-43-02((E)((1(4amino125oxadiazol3yl)5(((2carbamoylphenyl)azaniumyl)methyl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
2((E)((1(4AMINO125OXADIAZOL3YL)5((2CARBAMOYLANILINO)METHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2((1(4amino125oxadiazol3yl)5(((2carbamoylphenyl)ammonio)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
861116430
C1=CC=C(C(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(NH2+)C4=CC=CC=C4C(=O)N)C(=O)(O)
InChI=1SC21H18N10O5c221719(29362817)3115(102414843713(14)18(23)32)16(263031)20(33)2725911512612(11)21(34)35h1924H10H2(H22228)(H22332)(H2733)(H3435)b259+
MFCD05682905
O=C(c1nnn(c1C(NH2+)c1ccccc1C(=O)N)c1nonc1N)NN=Cc1ccccc1C(=O)(O)
ZINC000001872460
ZINC4467945
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.