Vitas-M small molecule compound
methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Catalog ID
STL156480
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(C1CCCCC1)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 C22H27N9O4 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N9O4/c1-30(16-6-4-3-5-7-16)13-17-18(25-29-31(17)20-19(23)27-35-28-20)21(32)26-24-12-14-8-10-15(11-9-14)22(33)34-2/h8-12,16H,3-7,13H2,1-2H3,(H2,23,27)(H,26,32)/b24-12+InChIKey
JTACYNZHMTYWJK-WYMPLXKRSA-NSynonyms
861149-00-0(E)methyl4((2(1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
861149000
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC)C4CCCCC4
InChI=1SC22H27N9O4c130(166435716)131718(252931(17)2019(23)27352820)21(32)2624121481015(11914)22(33)342h81216H3713H212H3(H22327)(H2632)b2412+
methyl4((E)((1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((1(4amino125oxadiazol3yl)5((cyclohexyl(methyl)amino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD05684515
ZINC000009308321
ZINC103236939
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