Vitas-M small molecule compound
(5E)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-1-(3-chloro-2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK000692
SMILES COc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2C)Cl)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 C19H14BrClN2O4S MW 481.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrClN2O4S/c1-9-13(21)4-3-5-14(9)23-18(26)11(17(25)22-19(23)28)6-10-7-16(27-2)15(24)8-12(10)20/h3-8,24H,1-2H3,(H,22,25,28)/b11-6+InChIKey
TYACGPSKEOMQKM-IZZDOVSWSA-NSynonyms
(5E)5((2bromo4hydroxy5methoxyphenyl)methylidene)1(3chloro2methylphenyl)2sulfanylidene13diazinane46dione
(5E)5(2BROMO4HYDROXY5METHOXYBENZYLIDENE)1(3CHLORO2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)C(=O)NC2=S
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(c2C)Cl)c(cc1O)Br
InChI=1SC19H14BrClN2O4Sc1913(21)43514(9)2318(26)11(17(25)2219(23)28)610716(272)15(24)812(10)20h3824H12H3(H222528)b116+
MFCD04126516
STK000692
ZINC000008915932
ZINC08915932
ZINC8915932
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