Vitas-M small molecule compound

ethyl (2-{(E)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate

Catalog ID
STK175251
SMILES CCOC(=O)COc1ccccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)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 C22H19ClN2O6 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O6/c1-3-30-19(26)12-31-18-7-5-4-6-14(18)10-16-20(27)24-22(29)25(21(16)28)15-9-8-13(2)17(23)11-15/h4-11H,3,12H2,1-2H3,(H,24,27,29)/b16-10+
InChIKey
NXHITXBJDVBEIN-MHWRWJLKSA-N
Synonyms

CCOC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
ETHYL(2((E)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2((E)(1(3CHLORO4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H19ClN2O6c133019(26)123118754614(18)101620(27)2422(29)25(21(16)28)159813(2)17(23)1115h411H312H212H3(H242729)b1610+
MFCD04588419
ZINC000014011004
ZINC14011004

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Available files

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