Vitas-M small molecule compound
methyl (2-bromo-6-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170681
SMILES COC(=O)COc1c(Cl)cc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C22H18BrClN2O6 MW 521.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O6/c1-11-4-12(2)6-14(5-11)26-21(29)15(20(28)25-22(26)30)7-13-8-16(23)19(17(24)9-13)32-10-18(27)31-3/h4-9H,10H2,1-3H3,(H,25,28,30)/b15-7+InChIKey
YYOCZVNTNJUTHZ-VIZOYTHASA-NSynonyms
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)OC)Cl)C(=O)NC2=O)C
COC(=O)COc1c(Cl)cc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC22H18BrClN2O6c111412(2)614(511)2621(29)15(20(28)2522(26)30)713816(23)19(17(24)913)321018(27)313h49H10H213H3(H252830)b157+
METHYL(2BROMO6CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(2BROMO6CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD02634608
ZINC000001213865
ZINC1213865
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