Vitas-M small molecule compound
3-({2-chloro-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STL504962
SMILES COc1cc(C=C2C(=O)N(C)C(=O)N(C2=O)C)cc(c1OCc1cccc(c1)C(=O)O)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 C22H19ClN2O7 MW 458.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O7/c1-24-19(26)15(20(27)25(2)22(24)30)8-13-9-16(23)18(17(10-13)31-3)32-11-12-5-4-6-14(7-12)21(28)29/h4-10H,11H2,1-3H3,(H,28,29)InChIKey
ARJYGQIOYTYDQJ-UHFFFAOYSA-NSynonyms
1278374
3((2CHLORO4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENOXY)METHYL)BENZOICACID
3((2chloro4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)6methoxyphenoxy)methyl)benzoicacid
InChI=1SC22H19ClN2O7c12419(26)15(20(27)25(2)22(24)30)813916(23)18(17(1013)313)32111254614(712)21(28)29h410H11H213H3(H2829)
MFCD03763105
ZINC000015226245
ZINC15226245
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