Vitas-M small molecule compound
4-(ethoxycarbonyl)-1-{[(E)-(4-methoxyphenyl)methylidene]amino}-3-methyl-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442160
SMILES CCOC(=O)c1[n+](C)nn(c1[O-])/N=C/c1ccc(cc1)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 C14H16N4O4 MW 304.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O4/c1-4-22-14(20)12-13(19)18(16-17(12)2)15-9-10-5-7-11(21-3)8-6-10/h5-9H,4H2,1-3H3/b15-9+InChIKey
GDOMYKRAIRJGES-OQLLNIDSSA-NSynonyms
1301732-93-3(Z)ethoxy(1((E)(4methoxyphenyl)methylideneamino)3methyl5oxotriazol3ium4ylidene)methanolate
1301732933
4(ethoxycarbonyl)1(((E)(4methoxyphenyl)methylidene)amino)3methyl1H123triazol3ium5olate
CCOC(=C1C(=O)N(N=(N+)1C)N=CC2=CC=C(C=C2)OC)(O)
CCOC(=O)c1(n+)(C)nn(c1(O))N=Cc1ccc(cc1)OC
InChI=1SC14H16N4O4c142214(20)1213(19)18(1617(12)2)159105711(213)8610h59H4H213H3b159+
MFCD09992845
ZINC000033436100
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