Vitas-M small molecule compound
(5E)-1-(2,5-dimethylphenyl)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK114137
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cc(C)ccc2C)cc(c1O)OC
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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-11-5-6-12(2)15(7-11)23-20(26)14(19(25)22-21(23)29)8-13-9-16(27-3)18(24)17(10-13)28-4/h5-10,24H,1-4H3,(H,22,25,29)/b14-8+InChIKey
IGVGBJUYIOTSTR-RIYZIHGNSA-NSynonyms
(5E)1(25DIMETHYLPHENYL)5((4HYDROXY35DIMETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(25DIMETHYLPHENYL)5(4HYDROXY35DIMETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)OC)C(=O)NC2=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)ccc2C)cc(c1O)OC
InChI=1SC21H20N2O5Sc1115612(2)15(711)2320(26)14(19(25)2221(23)29)813916(273)18(24)17(1013)284h51024H14H3(H222529)b148+
MFCD05149557
ZINC000004690351
ZINC04690351
ZINC4690351
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