Vitas-M small molecule compound
7-phenyl-1-(2-phenylethyl)-2-thioxo-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK786902
SMILES S=c1[nH]c(=O)c2c(n1CCc1ccccc1)NC(=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 C22H16F6N4OS MW 498.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F6N4OS/c23-21(24,25)20(22(26,27)28)15-17(29-16(31-20)14-9-5-2-6-10-14)32(19(34)30-18(15)33)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,29,31)(H,30,33,34)InChIKey
HAXPFOQGWJLGBU-UHFFFAOYSA-NSynonyms
7phenyl1(2phenylethyl)2sulfanylidene55bis(trifluoromethyl)8Hpyrimido(45d)pyrimidin4one
7phenyl1(2phenylethyl)2thioxo55bis(trifluoromethyl)2358tetrahydropyrimido(45d)pyrimidin4(1H)one
C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(N=C(N3)C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F
InChI=1SC22H16F6N4OSc2321(2425)20(22(2627)28)1517(2916(3120)1495261014)32(19(34)3018(15)33)1211137314813h110H1112H2(H2931)(H303334)
MFCD06177122
S=c1(nH)c(=O)c2c(n1CCc1ccccc1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1
ZINC000012376357
ZINC12376357
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