Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-6-(prop-2-yn-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL334249
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC#C
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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 C17H16N2O2S2 MW 344.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O2S2/c1-4-8-23-16-12(10-18)15(13-7-6-9-22-13)14(11(3)19-16)17(20)21-5-2/h1,6-7,9,15,19H,5,8H2,2-3H3InChIKey
GDDBPZOTARKUGD-UHFFFAOYSA-NSynonyms
353464-13-8353464138
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC#C)C
ETHYL5CYANO2METHYL6(2PROPYNYLSULFANYL)4(2THIENYL)14DIHYDRO3PYRIDINECARBOXYLATE
ethyl5cyano2methyl6(prop2yn1ylsulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
ethyl5cyano2methyl6(prop2yn1ylthio)4(thiophen2yl)14dihydropyridine3carboxylate
ETHYL5CYANO2METHYL6PROP2YNYLSULFANYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC17H16N2O2S2c148231612(1018)15(137692213)14(11(3)1916)17(20)2152h16791519H58H223H3
MFCD01243046
ZINC000100855216
ZINC000100855220
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