Vitas-M small molecule compound
methyl {5-bromo-2-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Catalog ID
STK190022
SMILES COC(=O)COc1cc(Br)c(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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 C16H15BrN2O6S MW 443.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN2O6S/c1-19-15(22)9(14(21)18-16(19)26)4-8-5-11(23-2)12(6-10(8)17)25-7-13(20)24-3/h4-6H,7H2,1-3H3,(H,18,21,26)/b9-4+InChIKey
PRPYVLIHLPGREP-RUDMXATFSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)C(=O)NC1=S
COC(=O)COc1cc(Br)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC16H15BrN2O6Sc11915(22)9(14(21)1816(19)26)48511(232)12(610(8)17)25713(20)243h46H7H213H3(H182126)b94+
METHYL(5BROMO2METHOXY4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(5BROMO2METHOXY4((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03226829
ZINC000000658610
ZINC00658610
ZINC658610
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