Vitas-M small molecule compound
dimethyl 6'-amino-1'-(3-chloro-4-fluorophenyl)-5'-cyano-1',4'-dihydro-3,4'-bipyridine-2',3'-dicarboxylate
Catalog ID
STK785890
SMILES COC(=O)C1=C(C(=O)OC)C(C(=C(N1c1ccc(c(c1)Cl)F)N)C#N)c1cccnc1
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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 C21H16ClFN4O4 MW 442.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN4O4/c1-30-20(28)17-16(11-4-3-7-26-10-11)13(9-24)19(25)27(18(17)21(29)31-2)12-5-6-15(23)14(22)8-12/h3-8,10,16H,25H2,1-2H3InChIKey
NEHHZUALLWZBAD-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(C(=C(C1C2=CN=CC=C2)C#N)N)C3=CC(=C(C=C3)F)Cl)C(=O)OC
dimethyl6amino1(3chloro4fluorophenyl)5cyano14dihydro34bipyridine23dicarboxylate
DIMETHYL6AMINO1(3CHLORO4FLUOROPHENYL)5CYANO4PYRIDIN3YL4HPYRIDINE23DICARBOXYLATE
InChI=1SC21H16ClFN4O4c13020(28)1716(11437261011)13(924)19(25)27(18(17)21(29)312)125615(23)14(22)812h381016H25H212H3
METHYL6AMINO1(3CHLORO4FLUOROPHENYL)5CYANO2(METHOXYCARBONYL)4(3PYRIDYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD07800865
ZINC000012417458
ZINC000012417460
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