Vitas-M small molecule compound
methyl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK827646
SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1CC
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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 C25H24FN3O3S MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O3S/c1-4-16-9-5-8-12-20(16)29-21(30)14-33-24-18(13-27)23(17-10-6-7-11-19(17)26)22(15(2)28-24)25(31)32-3/h5-12,23,28H,4,14H2,1-3H3,(H,29,30)InChIKey
OTSYPYZCYKTGLC-UHFFFAOYSA-NSynonyms
684238-12-8684238128
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3F)C#N
InChI=1SC25H24FN3O3Sc14169581220(16)2921(30)14332418(1327)23(1710671119(17)26)22(15(2)2824)25(31)323h5122328H414H213H3(H2930)
methyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(2fluorophenyl)2methyl14dihydropyridine3carboxylate
METHYL5CYANO6((2((2ETHYLPHENYL)AMINO)2OXOETHYL)THIO)4(2FLUOROPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
METHYL5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL4(2FLUOROPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03981684
ZINC000020348629
ZINC000020348631
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