Vitas-M small molecule compound
ethyl 1-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-oxo-2-phenylethoxy)-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STL439812
SMILES CCOC(=O)c1nnn(c1OCC(=O)c1ccccc1)/N=C/c1cccc(c1)F
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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 C20H17FN4O4 MW 396.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN4O4/c1-2-28-20(27)18-19(29-13-17(26)15-8-4-3-5-9-15)25(24-23-18)22-12-14-7-6-10-16(21)11-14/h3-12H,2,13H2,1H3/b22-12+InChIKey
DOZJJGXCCYVEQL-WSDLNYQXSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)N=CC2=CC(=CC=C2)F)OCC(=O)C3=CC=CC=C3
CCOC(=O)c1nnn(c1OCC(=O)c1ccccc1)N=Cc1cccc(c1)F
ethyl1(((E)(3fluorophenyl)methylidene)amino)5(2oxo2phenylethoxy)1H123triazole4carboxylate
ethyl1((E)(3fluorophenyl)methylideneamino)5phenacyloxytriazole4carboxylate
InChI=1SC20H17FN4O4c122820(27)1819(291317(26)158435915)25(242318)221214761016(21)1114h312H213H21H3b2212+
MFCD06242972
ZINC000001418393
ZINC33338119
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