Vitas-M small molecule compound
methyl 5-({4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-ethoxyphenoxy}methyl)furan-2-carboxylate
Catalog ID
STK547580
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)ccc1OCc1ccc(o1)C(=O)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 C22H22N8O7 MW 510.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O7/c1-4-34-17-9-13(5-7-15(17)35-11-14-6-8-16(36-14)22(32)33-3)10-24-26-21(31)18-12(2)30(29-25-18)20-19(23)27-37-28-20/h5-10H,4,11H2,1-3H3,(H2,23,27)(H,26,31)/b24-10+InChIKey
QDFLNOMJYILQIO-YSURURNPSA-NSynonyms
488858-19-1(E)methyl5((4((2(1(4amino125oxadiazol3yl)5methyl1H123triazole4carbonyl)hydrazono)methyl)2ethoxyphenoxy)methyl)furan2carboxylate
488858191
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C)OCC4=CC=C(O4)C(=O)OC
CCOc1cc(C=NNC(=O)c2nnn(c2C)c2nonc2N)ccc1OCc1ccc(o1)C(=O)OC
InChI=1SC22H22N8O7c143417913(5715(17)3511146816(3614)22(32)333)10242621(31)1812(2)30(292518)2019(23)27372820h510H411H213H3(H22327)(H2631)b2410+
METHYL5((4((E)((1(4AMINO125OXADIAZOL3YL)5METHYLTRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLATE
methyl5((4((E)(2((1(4amino125oxadiazol3yl)5methyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenoxy)methyl)furan2carboxylate
MFCD03295062
ZINC000002219027
ZINC33350754
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