Vitas-M small molecule compound
(5E)-1-(2,3-dimethylphenyl)-5-[4-(piperidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK196845
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(cc1)N1CCCCC1)c1cccc(c1C)C
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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 C24H25N3O2S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O2S/c1-16-7-6-8-21(17(16)2)27-23(29)20(22(28)25-24(27)30)15-18-9-11-19(12-10-18)26-13-4-3-5-14-26/h6-12,15H,3-5,13-14H2,1-2H3,(H,25,28,30)/b20-15+InChIKey
NLUXDKOBCDUEAU-HMMYKYKNSA-NSynonyms
(5E)1(23DIMETHYLPHENYL)5((4PIPERIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(23DIMETHYLPHENYL)5(4(PIPERIDIN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCC4)C(=O)NC2=S)C
InChI=1SC24H25N3O2Sc11676821(17(16)2)2723(29)20(22(28)2524(27)30)151891119(121018)26134351426h61215H351314H212H3(H252830)b2015+
MFCD03181628
O=C1NC(=S)N(C(=O)C1=Cc1ccc(cc1)N1CCCCC1)c1cccc(c1C)C
ZINC000004738845
ZINC04738845
ZINC4738845
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