Vitas-M small molecule compound
(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187474
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1O)CC=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 C22H19FN2O4S MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN2O4S/c1-3-5-14-10-13(12-18(19(14)26)29-4-2)11-17-20(27)24-22(30)25(21(17)28)16-8-6-15(23)7-9-16/h3,6-12,26H,1,4-5H2,2H3,(H,24,27,30)/b17-11+InChIKey
DUGDZHKWYNBPJW-GZTJUZNOSA-NSynonyms
(5E)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1O)CC=C
InChI=1SC22H19FN2O4Sc135141013(1218(19(14)26)2942)111720(27)2422(30)25(21(17)28)168615(23)7916h361226H145H22H3(H242730)b1711+
MFCD06150665
ZINC000001106532
ZINC01106532
ZINC1106532
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