Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-6-fluoro-2-hydroxyquinolin-3-yl]sulfanyl}-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Catalog ID
STK067716
SMILES C=CCc1c(C)nc([nH]c1=O)Sc1c(O)nc2c(c1c1ccc(cc1)Cl)cc(cc2)F
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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 C23H17ClFN3O2S MW 453.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClFN3O2S/c1-3-4-16-12(2)26-23(28-21(16)29)31-20-19(13-5-7-14(24)8-6-13)17-11-15(25)9-10-18(17)27-22(20)30/h3,5-11H,1,4H2,2H3,(H,27,30)(H,26,28,29)InChIKey
XGTMKAUTLAOBRO-UHFFFAOYSA-NSynonyms
525581-67-32((4(4CHLOROPHENYL)6FLUORO2HYDROXYQUINOLIN3YL)SULFANYL)6METHYL5(PROP2EN1YL)PYRIMIDIN4(3H)ONE
4(4CHLOROPHENYL)6FLUORO3((4HYDROXY6METHYL5(PROP2EN1YL)PYRIMIDIN2YL)SULFANYL)QUINOLIN2(1H)ONE
4(4CHLOROPHENYL)6FLUORO3((6METHYL4OXO5PROP2ENYL1HPYRIMIDIN2YL)SULFANYL)1HQUINOLIN2ONE
525581673
5allyl2((4(4chlorophenyl)6fluoro2hydroxyquinolin3yl)thio)6methylpyrimidin4(3H)one
C=CCc1c(C)nc((nH)c1=O)Sc1c(O)nc2c(c1c1ccc(cc1)Cl)cc(cc2)F
CC1=C(C(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)F)NC2=O)C4=CC=C(C=C4)Cl)CC=C
InChI=1SC23H17ClFN3O2Sc1341612(2)2623(2821(16)29)312019(135714(24)8613)171115(25)91018(17)2722(20)30h3511H14H22H3(H2730)(H262829)
MFCD03194552
STK067716
ZINC18086327
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.