Vitas-M small molecule compound
(5E)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-1-(2,4-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197982
SMILES COc1ccc(c(c1)OC)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 C20H17BrN2O6S MW 493.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O6S/c1-27-11-4-5-14(16(8-11)28-2)23-19(26)12(18(25)22-20(23)30)6-10-7-17(29-3)15(24)9-13(10)21/h4-9,24H,1-3H3,(H,22,25,30)/b12-6+InChIKey
RNINVBPWMYXQJX-WUXMJOGZSA-NSynonyms
(5E)5((2bromo4hydroxy5methoxyphenyl)methylidene)1(24dimethoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(2BROMO4HYDROXY5METHOXYBENZYLIDENE)1(24DIMETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)C(=O)NC2=S)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2cc(OC)c(cc2Br)O)C1=O
InChI=1SC20H17BrN2O6Sc127114514(16(811)282)2319(26)12(18(25)2220(23)30)610717(293)15(24)913(10)21h4924H13H3(H222530)b126+
MFCD04476955
ZINC000009260419
ZINC09260419
ZINC9260419
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