Vitas-M small molecule compound
methyl (2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-ethoxyphenoxy)acetate
Catalog ID
STK170652
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCC(=O)OC)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 C22H18BrClN2O7 MW 537.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O7/c1-3-32-17-10-12(9-16(23)19(17)33-11-18(27)31-2)8-15-20(28)25-22(30)26(21(15)29)14-6-4-13(24)5-7-14/h4-10H,3,11H2,1-2H3,(H,25,28,30)/b15-8+InChIKey
JKGUCHODCVSCRZ-OVCLIPMQSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC(=O)OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCC(=O)OC)Br
InChI=1SC22H18BrClN2O7c1332171012(916(23)19(17)331118(27)312)81520(28)2522(30)26(21(15)29)146413(24)5714h410H311H212H3(H252830)b158+
METHYL(2BROMO4((E)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6ETHOXYPHENOXY)ACETATE
METHYL2(2BROMO4((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)6ETHOXYPHENOXY)ACETATE
MFCD02634604
ZINC000059778392
ZINC59778392
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