Vitas-M small molecule compound
methyl 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887297
SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)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 C23H19F2N3O3S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F2N3O3S/c1-13-20(23(30)31-2)21(16-5-3-4-6-18(16)25)17(11-26)22(27-13)32-12-19(29)28-15-9-7-14(24)8-10-15/h3-10,21,27H,12H2,1-2H3,(H,28,29)InChIKey
BEFNLMNDCBHDNY-UHFFFAOYSA-NSynonyms
442557-57-5442557575
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CC=C3F)C(=O)OC
InChI=1SC23H19F2N3O3Sc11320(23(30)312)21(16534618(16)25)17(1126)22(2713)321219(29)28159714(24)81015h3102127H12H212H3(H2829)
methyl5cyano4(2fluorophenyl)6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO4(2FLUOROPHENYL)6((2((4FLUOROPHENYL)AMINO)2OXOETHYL)THIO)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
METHYL5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL4(2FLUOROPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03981711
ZINC000020348619
ZINC000020348621
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