Vitas-M small molecule compound
ethyl 4-[({[5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK826449
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccco1
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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 C30H24ClF3N4O5S MW 645.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClF3N4O5S/c1-3-42-29(41)17-6-9-19(10-7-17)37-24(39)15-44-28-20(14-35)26(23-5-4-12-43-23)25(16(2)36-28)27(40)38-22-13-18(30(32,33)34)8-11-21(22)31/h4-13,26,36H,3,15H2,1-2H3,(H,37,39)(H,38,40)InChIKey
WNLOEIMTIQAKNS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CO4)C#N
ethyl4((((5((2chloro5(trifluoromethyl)phenyl)carbamoyl)3cyano4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((5((2chloro5(trifluoromethyl)phenyl)carbamoyl)3cyano4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC30H24ClF3N4O5Sc134229(41)176919(10717)3724(39)15442820(1435)26(2354124323)25(16(2)3628)27(40)38221318(30(3233)34)81121(22)31h4132636H315H212H3(H3739)(H3840)
MFCD10086390
ZINC000098048646
ZINC000098048647
Check stock
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Check stock on Vitas-MAvailable files
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