Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl benzoate
Catalog ID
STK548398
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OC(=O)c1ccccc1
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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 C26H27N9O5 MW 545.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N9O5/c1-38-21-14-17(10-11-20(21)39-26(37)18-8-4-2-5-9-18)15-28-30-25(36)22-19(16-34-12-6-3-7-13-34)35(33-29-22)24-23(27)31-40-32-24/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H2,27,31)(H,30,36)/b28-15+InChIKey
AFVWCNJSTOMGRO-RWPZCVJISA-NSynonyms
799772-71-7(4((E)((1(4amino125oxadiazol3yl)5(piperidin1ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenyl)benzoate
(E)4((2(1(4amino125oxadiazol3yl)5(piperidin1ylmethyl)1H123triazole4carbonyl)hydrazono)methyl)2methoxyphenylbenzoate
4((E)(2((1(4amino125oxadiazol3yl)5(piperidin1ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenylbenzoate
799772717
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4)OC(=O)C5=CC=CC=C5
COc1cc(C=NNC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OC(=O)c1ccccc1
InChI=1SC26H27N9O5c138211417(101120(21)3926(37)188425918)15283025(36)2219(1634126371334)35(332922)2423(27)31403224h2458111415H367121316H21H3(H22731)(H3036)b2815+
MFCD03322114
ZINC000100947881
ZINC102450655
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.