Vitas-M small molecule compound
(5E)-1-(3-chloro-4-fluorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK129655
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)C1CCCCC1)C)c1ccc(c(c1)Cl)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 C23H23ClFN3O2S MW 459.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClFN3O2S/c1-13-10-15(14(2)27(13)16-6-4-3-5-7-16)11-18-21(29)26-23(31)28(22(18)30)17-8-9-20(25)19(24)12-17/h8-12,16H,3-7H2,1-2H3,(H,26,29,31)/b18-11+InChIKey
QKJHLDARGWMSFG-WOJGMQOQSA-NSynonyms
(5E)1(3CHLORO4FLUOROPHENYL)5((1CYCLOHEXYL25DIMETHYL1HPYRROL3YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(3CHLORO4FLUOROPHENYL)5((1CYCLOHEXYL25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)F)Cl
InChI=1SC23H23ClFN3O2Sc1131015(14(2)27(13)166435716)111821(29)2623(31)28(22(18)30)178920(25)19(24)1217h81216H37H212H3(H262931)b1811+
MFCD03064758
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)C1CCCCC1)C)c1ccc(c(c1)Cl)F
ZINC000009849782
ZINC09849782
ZINC9849782
Check stock
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