Vitas-M small molecule compound
methyl 2-{[(1E)-2-cyano-1-(methylsulfanyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]amino}benzoate
Catalog ID
STL134862
SMILES CS/C(=C(/C(=O)N1CCCCC1)\C#N)/Nc1ccccc1C(=O)OC
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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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-24-18(23)13-8-4-5-9-15(13)20-16(25-2)14(12-19)17(22)21-10-6-3-7-11-21/h4-5,8-9,20H,3,6-7,10-11H2,1-2H3/b16-14+InChIKey
FERVQPYXISAFOM-JQIJEIRASA-NSynonyms
1325549-91-41325549914
COC(=O)C1=CC=CC=C1NC(=C(C#N)C(=O)N2CCCCC2)SC
CSC(=C(C(=O)N1CCCCC1)C#N)Nc1ccccc1C(=O)OC
InChI=1SC18H21N3O3Sc12418(23)13845915(13)2016(252)14(1219)17(22)21106371121h458920H3671011H212H3b1614+
methyl2(((1E)2cyano1(methylsulfanyl)3oxo3(piperidin1yl)prop1en1yl)amino)benzoate
methyl2(((E)2cyano1methylsulfanyl3oxo3piperidin1ylprop1enyl)amino)benzoate
MFCD19705771
ZINC000067172693
ZINC67172693
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