Vitas-M small molecule compound
3-benzyl-1-{[(E)-(4-chlorophenyl)methylidene]amino}-4-(ethoxycarbonyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442172
SMILES CCOC(=O)c1[n+](Cc2ccccc2)nn(c1[O-])/N=C/c1ccc(cc1)Cl
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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 C19H17ClN4O3 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3/c1-2-27-19(26)17-18(25)24(21-12-14-8-10-16(20)11-9-14)22-23(17)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3/b21-12+InChIKey
MHLFEYSKYYUNJS-CIAFOILYSA-NSynonyms
(Z)(3benzyl1((E)(4chlorophenyl)methylideneamino)5oxotriazol3ium4ylidene)ethoxymethanolate
3benzyl1(((E)(4chlorophenyl)methylidene)amino)4(ethoxycarbonyl)1H123triazol3ium5olate
CCOC(=C1C(=O)N(N=(N+)1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)Cl)(O)
CCOC(=O)c1(n+)(Cc2ccccc2)nn(c1(O))N=Cc1ccc(cc1)Cl
InChI=1SC19H17ClN4O3c122719(26)1718(25)24(21121481016(20)11914)2223(17)13156435715h312H213H21H3b2112+
MFCD09992857
ZINC000033436112
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