Vitas-M small molecule compound
ethyl 3-cyano-6-(thiophen-2-yl)-2-[(5,5,5-trifluoro-2,4-dioxopentyl)sulfanyl]pyridine-4-carboxylate
Catalog ID
STL172392
SMILES CCOC(=O)c1cc(nc(c1C#N)SCC(=O)CC(=O)C(F)(F)F)c1cccs1
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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 C18H13F3N2O4S2 MW 442.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F3N2O4S2/c1-2-27-17(26)11-7-13(14-4-3-5-28-14)23-16(12(11)8-22)29-9-10(24)6-15(25)18(19,20)21/h3-5,7H,2,6,9H2,1H3InChIKey
SYRGGRGDLPKRJM-UHFFFAOYSA-NSynonyms
438606-12-3438606123
CCOC(=O)C1=CC(=NC(=C1C#N)SCC(=O)CC(=O)C(F)(F)F)C2=CC=CS2
ethyl3cyano6(thiophen2yl)2((555trifluoro24dioxopentyl)sulfanyl)pyridine4carboxylate
ETHYL3CYANO6THIOPHEN2YL2(555TRIFLUORO24DIOXOPENTYL)SULFANYLPYRIDINE4CARBOXYLATE
InChI=1SC18H13F3N2O4S2c122717(26)11713(144352814)2316(12(11)822)29910(24)615(25)18(1920)21h357H269H21H3
MFCD00730952
ZINC000102831812
ZINC102831812
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