Vitas-M small molecule compound
ethyl 1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-6-amino-4-(4-bromophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK680179
SMILES CCOC(=O)C1=C(C)N(C(=C(C1c1ccc(cc1)Br)C#N)N)c1nonc1NC(=O)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 C20H19BrN6O4 MW 487.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN6O4/c1-4-30-20(29)15-10(2)27(19-18(24-11(3)28)25-31-26-19)17(23)14(9-22)16(15)12-5-7-13(21)8-6-12/h5-8,16H,4,23H2,1-3H3,(H,24,25,28)InChIKey
JRTGLEXWXQVBEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Br)C#N)N)C3=NON=C3NC(=O)C)C
ETHYL1(4(ACETYLAMINO)(125OXADIAZOL3YL))6AMINO4(4BROMOPHENYL)5CYANO2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ethyl1(4(acetylamino)125oxadiazol3yl)6amino4(4bromophenyl)5cyano2methyl14dihydropyridine3carboxylate
ETHYL1(4ACETAMIDO125OXADIAZOL3YL)6AMINO4(4BROMOPHENYL)5CYANO2METHYL4HPYRIDINE3CARBOXYLATE
InChI=1SC20H19BrN6O4c143020(29)1510(2)27(1918(2411(3)28)25312619)17(23)14(922)16(15)125713(21)8612h5816H423H213H3(H242528)
MFCD03158701
ZINC000000718961
ZINC000000718963
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