Vitas-M small molecule compound
1-(2-methylprop-2-en-1-yl)-7-phenyl-2-sulfanyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK625528
SMILES CC(=C)Cn1c(S)nc(=O)c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1
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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 C18H14F6N4OS MW 448.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F6N4OS/c1-9(2)8-28-13-11(14(29)26-15(28)30)16(17(19,20)21,18(22,23)24)27-12(25-13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,25,27)(H,26,29,30)InChIKey
LIBVJXLBEZKQMB-UHFFFAOYSA-NSynonyms
919726-14-01(2methylprop2en1yl)7phenyl2sulfanyl55bis(trifluoromethyl)58dihydropyrimido(45d)pyrimidin4(1H)one
1(2methylprop2enyl)7phenyl2sulfanylidene55bis(trifluoromethyl)8Hpyrimido(45d)pyrimidin4one
919726140
CC(=C)CN1C2=C(C(=O)NC1=S)C(N=C(N2)C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F
InChI=1SC18H14F6N4OSc19(2)8281311(14(29)2615(28)30)16(17(1920)2118(2223)24)2712(2513)106435710h37H18H22H3(H2527)(H262930)
MFCD09792236
ZINC000019626648
ZINC19626648
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