Vitas-M small molecule compound
5-cyano-N-(2,6-dimethylphenyl)-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885685
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=C(C1c1ccco1)C(=O)Nc1c(C)cccc1C)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 C29H25F3N4O3S MW 566.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25F3N4O3S/c1-16-8-6-9-17(2)26(16)36-27(38)24-18(3)34-28(19(14-33)25(24)22-12-7-13-39-22)40-15-23(37)35-21-11-5-4-10-20(21)29(30,31)32/h4-13,25,34H,15H2,1-3H3,(H,35,37)(H,36,38)InChIKey
QIRPXDUYXOJZAS-UHFFFAOYSA-NSynonyms
5cyanoN(26dimethylphenyl)4(furan2yl)2methyl6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxamide
5cyanoN(26dimethylphenyl)4(furan2yl)2methyl6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl14dihydropyridine3carboxamide
CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C
InChI=1SC29H25F3N4O3Sc11686917(2)26(16)3627(38)2418(3)3428(19(1433)25(24)22127133922)401523(37)352111541020(21)29(3031)32h4132534H15H213H3(H3537)(H3638)
MFCD10086227
ZINC000098048893
ZINC000098048894
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