Vitas-M small molecule compound
(5E)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(2,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK113465
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cc(C)ccc2C)c(cc1O)Br
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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 C21H19BrN2O4S MW 475.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4S/c1-4-28-18-9-13(15(22)10-17(18)25)8-14-19(26)23-21(29)24(20(14)27)16-7-11(2)5-6-12(16)3/h5-10,25H,4H2,1-3H3,(H,23,26,29)/b14-8+InChIKey
AYVLKHMAAHJRFX-RIYZIHGNSA-NSynonyms
(5E)5((2BROMO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)1(25DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(2BROMO5ETHOXY4HYDROXYBENZYLIDENE)1(25DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=CC(=C3)C)C)Br)O
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)ccc2C)c(cc1O)Br
InChI=1SC21H19BrN2O4Sc142818913(15(22)1017(18)25)81419(26)2321(29)24(20(14)27)16711(2)5612(16)3h51025H4H213H3(H232629)b148+
MFCD05625592
ZINC000009323222
ZINC09323222
ZINC9323222
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