Vitas-M small molecule compound
4-({2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK177609
SMILES O=C1N(C)C(=O)C(=Cc2ccccc2OCc2ccc(cc2)C(=O)O)C(=O)N1C
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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-22-18(24)16(19(25)23(2)21(22)28)11-15-5-3-4-6-17(15)29-12-13-7-9-14(10-8-13)20(26)27/h3-11H,12H2,1-2H3,(H,26,27)InChIKey
WHVLAOFNLATLMU-UHFFFAOYSA-NSynonyms
4((2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((13DIMETHYL246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C(=O)N(C1=O)C
InChI=1SC21H18N2O6c12218(24)16(19(25)23(2)21(22)28)1115534617(15)2912137914(10813)20(26)27h311H12H212H3(H2627)
MFCD02326568
ZINC000002972689
ZINC2972689
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