Vitas-M small molecule compound
(5E)-5-(5-bromo-3-chloro-2-hydroxybenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374881
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Br)cc(c2O)Cl)/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 C19H14BrClN2O4S MW 481.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrClN2O4S/c1-2-27-13-5-3-12(4-6-13)23-18(26)14(17(25)22-19(23)28)8-10-7-11(20)9-15(21)16(10)24/h3-9,24H,2H2,1H3,(H,22,25,28)/b14-8+InChIKey
OOTOZDHTRZGYDX-RIYZIHGNSA-NSynonyms
(5E)5((5bromo3chloro2hydroxyphenyl)methylidene)1(4ethoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(5bromo3chloro2hydroxybenzylidene)1(4ethoxyphenyl)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)Cl)Br)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Br)cc(c2O)Cl)C1=O
InChI=1SC19H14BrClN2O4Sc1227135312(4613)2318(26)14(17(25)2219(23)28)810711(20)915(21)16(10)24h3924H2H21H3(H222528)b148+
MFCD03031042
ZINC000009295823
ZINC09295823
ZINC9295823
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