Vitas-M small molecule compound
(5Z)-5-(2,3-dibromo-4-hydroxy-5-methoxybenzylidene)-1-(2,3-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK195978
SMILES COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2cccc(c2C)C)c(c(c1O)Br)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 C20H16Br2N2O4S MW 540.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Br2N2O4S/c1-9-5-4-6-13(10(9)2)24-19(27)12(18(26)23-20(24)29)7-11-8-14(28-3)17(25)16(22)15(11)21/h4-8,25H,1-3H3,(H,23,26,29)/b12-7-InChIKey
INALQNRLHLELLV-GHXNOFRVSA-NSynonyms
(5Z)5((23DIBROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)1(23DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(23DIBROMO4HYDROXY5METHOXYBENZYLIDENE)1(23DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3Br)Br)O)OC)C(=O)NC2=S)C
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(c2C)C)c(c(c1O)Br)Br
InChI=1SC20H16Br2N2O4Sc1954613(10(9)2)2419(27)12(18(26)2320(24)29)711814(283)17(25)16(22)15(11)21h4825H13H3(H232629)b127
MFCD06666128
ZINC000097960952
ZINC97960952
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