Vitas-M small molecule compound
(5E)-1-(2,4-dimethylphenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK113601
SMILES CCOc1cc(ccc1O)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1C)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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-4-27-18-11-14(6-8-17(18)24)10-15-19(25)22-21(28)23(20(15)26)16-7-5-12(2)9-13(16)3/h5-11,24H,4H2,1-3H3,(H,22,25,28)/b15-10+InChIKey
BGJFQZRRWBPGFZ-XNTDXEJSSA-NSynonyms
(5E)1(24DIMETHYLPHENYL)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(24DIMETHYLPHENYL)5(3ETHOXY4HYDROXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)O
CCOc1cc(ccc1O)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
InChI=1SC21H20N2O4Sc1427181114(6817(18)24)101519(25)2221(28)23(20(15)26)167512(2)913(16)3h51124H4H213H3(H222528)b1510+
MFCD04127300
ZINC000004690162
ZINC04690162
ZINC4690162
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