Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK842298
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(c(c1)F)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 C22H19F2N3O3S2 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F2N3O3S2/c1-3-30-22(29)19-12(2)26-21(14(10-25)20(19)17-5-4-8-31-17)32-11-18(28)27-13-6-7-15(23)16(24)9-13/h4-9,20,26H,3,11H2,1-2H3,(H,27,28)InChIKey
SPUPLMHBHREQTG-UHFFFAOYSA-NSynonyms
488732-74-7488732747
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=CC(=C(C=C3)F)F)C
ethyl5cyano6((2((34difluorophenyl)amino)2oxoethyl)sulfanyl)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
ethyl5cyano6((2((34difluorophenyl)amino)2oxoethyl)thio)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
ETHYL5CYANO6(2(34DIFLUOROANILINO)2OXOETHYL)SULFANYL2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
ETHYL6((N(34DIFLUOROPHENYL)CARBAMOYL)METHYLTHIO)5CYANO2METHYL4(2THIENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC22H19F2N3O3S2c133022(29)1912(2)2621(14(1025)20(19)175483117)321118(28)27136715(23)16(24)913h492026H311H212H3(H2728)
MFCD03291896
ZINC000000803946
ZINC000000803947
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