Vitas-M small molecule compound
ethyl 4-[({6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate
Catalog ID
STK826413
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)N
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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-3-33-25(32)17-9-11-18(12-10-17)29-23(31)21-15(2)28-24(34-14-20(27)30)19(13-26)22(21)16-7-5-4-6-8-16/h4-12,22,28H,3,14H2,1-2H3,(H2,27,30)(H,29,31)InChIKey
SCQIJAKHDRXNPX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)N)C
ethyl4(((6((2amino2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridin3yl)carbonyl)amino)benzoate
ETHYL4((6(2AMINO2OXOETHYL)SULFANYL5CYANO2METHYL4PHENYL14DIHYDROPYRIDINE3CARBONYL)AMINO)BENZOATE
InChI=1SC25H24N4O4Sc133325(32)1791118(121017)2923(31)2115(2)2824(341420(27)30)19(1326)22(21)167546816h4122228H314H212H3(H22730)(H2931)
MFCD04218971
ZINC000012250141
ZINC000012250142
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