Vitas-M small molecule compound
3-({4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK058348
SMILES O=C1N(C)C(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)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)17(19(25)23(2)21(22)28)11-13-6-8-16(9-7-13)29-12-14-4-3-5-15(10-14)20(26)27/h3-11H,12H2,1-2H3,(H,26,27)InChIKey
VHBXKKSQYDFXMN-UHFFFAOYSA-NSynonyms
3((4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((13DIMETHYL246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C(=O)N(C1=O)C
InChI=1SC21H18N2O6c12218(24)17(19(25)23(2)21(22)28)11136816(9713)29121443515(1014)20(26)27h311H12H212H3(H2627)
MFCD02218260
O=C1N(C)C(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)C(=O)O)C(=O)N1C
STK058348
ZINC000002958898
ZINC2958898
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