Vitas-M small molecule compound
ethyl 2-tert-butyl-8-cyano-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
Catalog ID
STK694710
SMILES CCOC(=O)c1cc(C#N)c2n(c1=O)nc(n2c1ccc(cc1)OC)C(C)(C)C
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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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-6-29-19(27)16-11-13(12-22)17-24(14-7-9-15(28-5)10-8-14)20(21(2,3)4)23-25(17)18(16)26/h7-11H,6H2,1-5H3InChIKey
ZGFXKXUKUCLIGJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C2N(C(=NN2C1=O)C(C)(C)C)C3=CC=C(C=C3)OC)C#N
ETHYL2(TERTBUTYL)8CYANO1(4METHOXYPHENYL)5OXO4HYDRO124TRIAZOLINO(15A)PYRIDINE6CARBOXYLATE
ethyl2tertbutyl8cyano1(4methoxyphenyl)5oxo(124)triazolo(15a)pyridine6carboxylate
ethyl2tertbutyl8cyano1(4methoxyphenyl)5oxo15dihydro(124)triazolo(15a)pyridine6carboxylate
InChI=1SC21H22N4O4c162919(27)161113(1222)1724(147915(285)10814)20(21(23)4)2325(17)18(16)26h711H6H215H3
MFCD10037681
ZINC000014988396
ZINC14988396
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