Vitas-M small molecule compound

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

Catalog ID
STK170699
SMILES CCOc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)OC)Cl

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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 C24H23ClN2O7 MW 486.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN2O7/c1-5-33-19-11-15(10-18(25)21(19)34-12-20(28)32-4)9-17-22(29)26-24(31)27(23(17)30)16-7-13(2)6-14(3)8-16/h6-11H,5,12H2,1-4H3,(H,26,29,31)/b17-9+
InChIKey
ZFOLDBMITGZTKX-RQZCQDPDSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Cl)OCC(=O)OC
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)OC)Cl
InChI=1SC24H23ClN2O7c1533191115(1018(25)21(19)341220(28)324)91722(29)2624(31)27(23(17)30)16713(2)614(3)816h611H512H214H3(H262931)b179+
METHYL(2CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6ETHOXYPHENOXY)ACETATE
methyl2(2chloro4((E)(1(35dimethylphenyl)246trioxo13diazinan5ylidene)methyl)6ethoxyphenoxy)acetate
MFCD02379079
ZINC000009311102
ZINC09311102
ZINC9311102

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Available files

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