Vitas-M small molecule compound
ethyl 4-[({5-cyano-2-methyl-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate
Catalog ID
STK885809
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccccc1C(F)(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 C32H27F3N4O4S MW 620.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27F3N4O4S/c1-3-43-31(42)21-13-15-22(16-14-21)38-29(41)27-19(2)37-30(23(17-36)28(27)20-9-5-4-6-10-20)44-18-26(40)39-25-12-8-7-11-24(25)32(33,34)35/h4-16,28,37H,3,18H2,1-2H3,(H,38,41)(H,39,40)InChIKey
KQOMWKILPYVLNP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C
ethyl4(((5cyano2methyl6((2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)4phenyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano2methyl6(2oxo2(2(trifluoromethyl)anilino)ethyl)sulfanyl4phenyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC32H27F3N4O4Sc134331(42)21131522(161421)3829(41)2719(2)3730(23(1736)28(27)2095461020)441826(40)392512871124(25)32(3334)35h4162837H318H212H3(H3841)(H3940)
MFCD10086337
ZINC000098048567
ZINC000098048568
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