Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK551907
SMILES COc1cccc(c1OC(=O)c1ccc(cc1)Cl)/C=N/NC(=O)c1nnn(c1C)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 C21H17ClN8O5 MW 496.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN8O5/c1-11-16(25-29-30(11)19-18(23)27-35-28-19)20(31)26-24-10-13-4-3-5-15(33-2)17(13)34-21(32)12-6-8-14(22)9-7-12/h3-10H,1-2H3,(H2,23,27)(H,26,31)/b24-10+InChIKey
KQOYHCJJCLWGNG-YSURURNPSA-NSynonyms
836624-70-5(2((E)((1(4AMINO125OXADIAZOL3YL)5METHYLTRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)6METHOXYPHENYL)4CHLOROBENZOATE
(E)2((2(1(4amino125oxadiazol3yl)5methyl1H123triazole4carbonyl)hydrazono)methyl)6methoxyphenyl4chlorobenzoate
2((E)(2((1(4amino125oxadiazol3yl)5methyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenyl4chlorobenzoate
836624705
CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C(=CC=C3)OC)OC(=O)C4=CC=C(C=C4)Cl
COc1cccc(c1OC(=O)c1ccc(cc1)Cl)C=NNC(=O)c1nnn(c1C)c1nonc1N
InChI=1SC21H17ClN8O5c11116(252930(11)1918(23)27352819)20(31)2624101343515(332)17(13)3421(32)126814(22)9712h310H12H3(H22327)(H2631)b2410+
MFCD03336362
ZINC000002250067
ZINC33351582
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