Vitas-M small molecule compound
5-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL416472
SMILES COc1ccc(cc1Oc1nc(Cl)ncc1F)C=C1C(=O)NC(=S)NC1=O
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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 C16H10ClFN4O4S MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClFN4O4S/c1-25-10-3-2-7(4-8-12(23)20-16(27)21-13(8)24)5-11(10)26-14-9(18)6-19-15(17)22-14/h2-6H,1H3,(H2,20,21,23,24,27)InChIKey
FBHKFTDLGIFOOQ-UHFFFAOYSA-NSynonyms
5((3(2chloro5fluoropyrimidin4yl)oxy4methoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
5(3((2chloro5fluoropyrimidin4yl)oxy)4methoxybenzylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC3=NC(=NC=C3F)Cl
InChI=1SC16H10ClFN4O4Sc12510327(4812(23)2016(27)2113(8)24)511(10)26149(18)61915(17)2214h26H1H3(H22021232427)
MFCD03237210
ZINC000005880364
ZINC05880364
ZINC5880364
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