Vitas-M small molecule compound
diethyl [1-(2-methylprop-2-en-1-yl)-4,6-dioxo-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phosphoramidate
Catalog ID
STK690062
SMILES CCOP(=O)(NC1(C(=O)Nc2c1c(=O)[nH]c(=S)n2CC(=C)C)C(F)(F)F)OCC
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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 C15H20F3N4O5PS MW 456.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20F3N4O5PS/c1-5-26-28(25,27-6-2)21-14(15(16,17)18)9-10(19-12(14)24)22(7-8(3)4)13(29)20-11(9)23/h3,5-7H2,1-2,4H3,(H,19,24)(H,21,25)(H,20,23,29)InChIKey
XURBWTGJOLHRHK-UHFFFAOYSA-NSynonyms
5(diethoxyphosphorylamino)1(2methylprop2enyl)2sulfanylidene5(trifluoromethyl)7Hpyrrolo(23d)pyrimidine46dione
CCOP(=O)(NC1(C(=O)Nc2c1c(=O)(nH)c(=S)n2CC(=C)C)C(F)(F)F)OCC
CCOP(=O)(NC1(C2=C(NC1=O)N(C(=S)NC2=O)CC(=C)C)C(F)(F)F)OCC
diethyl(1(2methylprop2en1yl)46dioxo2thioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)phosphoramidate
InChI=1SC15H20F3N4O5PSc152628(252762)2114(15(1617)18)910(1912(14)24)22(78(3)4)13(29)2011(9)23h357H2124H3(H1924)(H2125)(H202329)
MFCD09062968
ZINC000012411275
ZINC000012411276
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