Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-(4-methoxy-3-methylbenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190143
SMILES COc1ccc(cc1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-12-7-13(2)9-16(8-12)23-20(25)17(19(24)22-21(23)27)11-15-5-6-18(26-4)14(3)10-15/h5-11H,1-4H3,(H,22,24,27)/b17-11+InChIKey
ZTWSZTHDCJDXFX-GZTJUZNOSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5((4METHOXY3METHYLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(35DIMETHYLPHENYL)5(4METHOXY3METHYLBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)C)C(=O)NC2=S)C
COc1ccc(cc1C)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC21H20N2O3Sc112713(2)916(812)2320(25)17(19(24)2221(23)27)11155618(264)14(3)1015h511H14H3(H222427)b1711+
MFCD03729407
ZINC000004724064
ZINC04724064
ZINC4724064
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