Vitas-M small molecule compound
(5E)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK089627
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(OC)c(cc2Br)O)/C1=O
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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 C19H15BrN2O5S MW 463.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O5S/c1-26-12-5-3-11(4-6-12)22-18(25)13(17(24)21-19(22)28)7-10-8-16(27-2)15(23)9-14(10)20/h3-9,23H,1-2H3,(H,21,24,28)/b13-7+InChIKey
WEOWMECZEZDZSW-NTUHNPAUSA-NSynonyms
(5E)5((2bromo4hydroxy5methoxyphenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(2BROMO4HYDROXY5METHOXYBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(OC)c(cc2Br)O)C1=O
InChI=1SC19H15BrN2O5Sc126125311(4612)2218(25)13(17(24)2119(22)28)710816(272)15(23)914(10)20h3923H12H3(H212428)b137+
MFCD08671215
STK089627
ZINC000009730867
ZINC09730867
ZINC9730867
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