Vitas-M small molecule compound
ethyl 4-[({5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate
Catalog ID
STK600419
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)c1ccccc1
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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 C29H25N3O5S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S/c1-3-36-29(35)20-11-13-21(14-12-20)32-27(34)25-18(2)31-28(22(16-30)26(25)24-10-7-15-37-24)38-17-23(33)19-8-5-4-6-9-19/h4-15,26,31H,3,17H2,1-2H3,(H,32,34)InChIKey
LMCYGUHOVSXXOH-UHFFFAOYSA-NSynonyms
799820-33-0799820330
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)C4=CC=CC=C4)C
ethyl4(((5cyano4(furan2yl)2methyl6((2oxo2phenylethyl)sulfanyl)14dihydropyridin3yl)carbonyl)amino)benzoate
ETHYL4((5CYANO4(FURAN2YL)2METHYL6PHENACYLSULFANYL14DIHYDROPYRIDINE3CARBONYL)AMINO)BENZOATE
ethyl4(5cyano4(furan2yl)2methyl6((2oxo2phenylethyl)thio)14dihydropyridine3carboxamido)benzoate
InChI=1SC29H25N3O5Sc133629(35)20111321(141220)3227(34)2518(2)3128(22(1630)26(25)24107153724)381723(33)198546919h4152631H317H212H3(H3234)
MFCD03682086
ZINC000097952119
ZINC000097952120
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