Vitas-M small molecule compound
methyl (5-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK170691
SMILES COC(=O)COc1cc(Br)c(cc1OC)/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 C23H21BrN2O7 MW 517.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O7/c1-12-5-13(2)7-15(6-12)26-22(29)16(21(28)25-23(26)30)8-14-9-18(31-3)19(10-17(14)24)33-11-20(27)32-4/h5-10H,11H2,1-4H3,(H,25,28,30)/b16-8+InChIKey
PLQLSPFIDYLNIR-LZYBPNLTSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)OCC(=O)OC)OC)C(=O)NC2=O)C
COC(=O)COc1cc(Br)c(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC23H21BrN2O7c112513(2)715(612)2622(29)16(21(28)2523(26)30)814918(313)19(1017(14)24)331120(27)324h510H11H214H3(H252830)b168+
METHYL(5BROMO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
METHYL2(5BROMO4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD02215137
ZINC000001214291
ZINC01214291
ZINC1214291
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