Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl benzoate
Catalog ID
STK546998
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)cc(c1OC(=O)c1ccccc1)OC
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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 C27H22N8O6 MW 554.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N8O6/c1-38-19-13-16(14-20(39-2)23(19)40-27(37)18-11-7-4-8-12-18)15-29-31-26(36)21-22(17-9-5-3-6-10-17)35(34-30-21)25-24(28)32-41-33-25/h3-15H,1-2H3,(H2,28,32)(H,31,36)/b29-15+InChIKey
OMQSKQVMFHXKGO-WKULSOCRSA-NSynonyms
(4((E)((1(4AMINO125OXADIAZOL3YL)5PHENYLTRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)26DIMETHOXYPHENYL)BENZOATE
(E)4((2(1(4amino125oxadiazol3yl)5phenyl1H123triazole4carbonyl)hydrazono)methyl)26dimethoxyphenylbenzoate
4((E)(2((1(4amino125oxadiazol3yl)5phenyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)26dimethoxyphenylbenzoate
COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=CC=C5
COc1cc(C=NNC(=O)c2nnn(c2c2ccccc2)c2nonc2N)cc(c1OC(=O)c1ccccc1)OC
InChI=1SC27H22N8O6c138191316(1420(392)23(19)4027(37)18117481218)15293126(36)2122(1795361017)35(343021)2524(28)32413325h315H12H3(H22832)(H3136)b2915+
MFCD03299111
ZINC000002594004
ZINC102446586
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Check stock on Vitas-MAvailable files
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