Vitas-M small molecule compound
methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL003998
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N
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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 C21H18N8O4 MW 446.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N8O4/c1-12-3-7-14(8-4-12)17-16(24-28-29(17)19-18(22)26-33-27-19)20(30)25-23-11-13-5-9-15(10-6-13)21(31)32-2/h3-11H,1-2H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
OYEJFSYNGNDEGM-FOKLQQMPSA-NSynonyms
842965-72-4(E)methyl4((2(1(4amino125oxadiazol3yl)5(ptolyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
842965724
CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc(cc1)C)c1nonc1N
InChI=1SC21H18N8O4c1123714(8412)1716(242829(17)1918(22)26332719)20(30)252311135915(10613)21(31)322h311H12H3(H22226)(H2530)b2311+
METHYL4((E)((1(4AMINO125OXADIAZOL3YL)5(4METHYLPHENYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2((1(4amino125oxadiazol3yl)5(4methylphenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD04012523
ZINC000002403891
ZINC33365625
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