Vitas-M small molecule compound
1-amino-4-(ethoxycarbonyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442179
SMILES CCOC(=O)c1[n+](CC(=O)c2ccc(cc2)C)nn(c1[O-])N
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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/c1-3-22-14(21)12-13(20)18(15)16-17(12)8-11(19)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H2-,15,16,20,21)InChIKey
YGAPLBIEOGWPFZ-UHFFFAOYSA-NSynonyms
(Z)(1amino3(2(4methylphenyl)2oxoethyl)5oxotriazol3ium4ylidene)ethoxymethanolate
1amino4(ethoxycarbonyl)3(2(4methylphenyl)2oxoethyl)1H123triazol3ium5olate
CCOC(=C1C(=O)N(N=(N+)1CC(=O)C2=CC=C(C=C2)C)N)(O)
CCOC(=O)c1(n+)(CC(=O)c2ccc(cc2)C)nn(c1(O))N
InChI=1SC14H16N4O4c132214(21)1213(20)18(15)1617(12)811(19)10649(2)5710h47H38H212H3(H215162021)
MFCD09992864
ZINC000033436119
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