Vitas-M small molecule compound
4-(ethoxycarbonyl)-3-(2-oxo-2-phenylethyl)-1-{[(E)-phenylmethylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL439635
SMILES CCOC(=O)c1[n+](CC(=O)c2ccccc2)nn(c1[O-])/N=C/c1ccccc1
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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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c1-2-28-20(27)18-19(26)24(21-13-15-9-5-3-6-10-15)22-23(18)14-17(25)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/b21-13+InChIKey
GPNFQSJNSFYLRD-FYJGNVAPSA-NSynonyms
(Z)(1((E)benzylideneamino)5oxo3phenacyltriazol3ium4ylidene)ethoxymethanolate
4(ethoxycarbonyl)3(2oxo2phenylethyl)1(((E)phenylmethylidene)amino)1H123triazol3ium5olate
CCOC(=C1C(=O)N(N=(N+)1CC(=O)C2=CC=CC=C2)N=CC3=CC=CC=C3)(O)
CCOC(=O)c1(n+)(CC(=O)c2ccccc2)nn(c1(O))N=Cc1ccccc1
InChI=1SC20H18N4O4c122820(27)1819(26)24(21131595361015)2223(18)1417(25)16117481216h313H214H21H3b2113+
MFCD09992400
ZINC000033431730
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