Vitas-M small molecule compound
(5Z)-5-(5-bromo-2-methoxybenzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK059126
SMILES COc1ccc(cc1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F)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 C18H12BrFN2O3S MW 435.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrFN2O3S/c1-25-15-7-2-11(19)8-10(15)9-14-16(23)21-18(26)22(17(14)24)13-5-3-12(20)4-6-13/h2-9H,1H3,(H,21,23,26)/b14-9-InChIKey
BMRJZERCGPDSJW-ZROIWOOFSA-NSynonyms
(5Z)5((5bromo2methoxyphenyl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(5BROMO2METHOXYBENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C=C(C=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F
COc1ccc(cc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F)Br
InChI=1SC18H12BrFN2O3Sc125157211(19)810(15)91416(23)2118(26)22(17(14)24)135312(20)4613h29H1H3(H212326)b149
MFCD03228502
STK059126
ZINC000009311656
ZINC09311656
ZINC9311656
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