Vitas-M small molecule compound

ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK771895
SMILES CCOC(=O)C1=C(C)N(c2nonc2NC(=O)C)C(=C(C1c1c(F)cccc1Cl)C#N)N

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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 C20H18ClFN6O4 MW 460.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClFN6O4/c1-4-31-20(30)14-9(2)28(19-18(25-10(3)29)26-32-27-19)17(24)11(8-23)15(14)16-12(21)6-5-7-13(16)22/h5-7,15H,4,24H2,1-3H3,(H,25,26,29)
InChIKey
NUZNTLPVLNWKFW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C(=C(C1C2=C(C=CC=C2Cl)F)C#N)N)C3=NON=C3NC(=O)C)C
ETHYL(4R)1(4(ACETYLAMINO)125OXADIAZOL3YL)6AMINO4(2CHLORO6FLUOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ETHYL1(4(ACETYLAMINO)(125OXADIAZOL3YL))6AMINO4(2CHLORO6FLUOROPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ethyl1(4(acetylamino)125oxadiazol3yl)6amino4(2chloro6fluorophenyl)5cyano2methyl14dihydropyridine3carboxylate
ETHYL1(4ACETAMIDO125OXADIAZOL3YL)6AMINO4(2CHLORO6FLUOROPHENYL)5CYANO2METHYL4HPYRIDINE3CARBOXYLATE
InChI=1SC20H18ClFN6O4c143120(30)149(2)28(1918(2510(3)29)26322719)17(24)11(823)15(14)1612(21)65713(16)22h5715H424H213H3(H252629)
MFCD03761386
ZINC000001086589
ZINC000001086590

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.