Vitas-M small molecule compound
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK552209
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)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 C25H23ClFN3O4S MW 515.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClFN3O4S/c1-15-22(25(32)34-12-11-33-2)23(16-3-5-17(26)6-4-16)20(13-28)24(29-15)35-14-21(31)30-19-9-7-18(27)8-10-19/h3-10,23,29H,11-12,14H2,1-2H3,(H,30,31)InChIKey
IARRQILOYFRXOH-UHFFFAOYSA-NSynonyms
672900-83-32methoxyethyl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
2methoxyethyl4(4chlorophenyl)5cyano6((2((4fluorophenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
2METHOXYETHYL4(4CHLOROPHENYL)5CYANO6(2(4FLUOROANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
672900833
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC
InChI=1SC25H23ClFN3O4Sc11522(25(32)341211332)23(163517(26)6416)20(1328)24(2915)351421(31)30199718(27)81019h3102329H111214H212H3(H3031)
MFCD03670304
ZINC000001827559
ZINC000020150289
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