Vitas-M small molecule compound
3-({4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK362034
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1C(=O)N(C)C(=O)N(C1=O)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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-23-19(25)16(20(26)24(2)22(23)29)10-13-7-8-17(18(11-13)30-3)31-12-14-5-4-6-15(9-14)21(27)28/h4-11H,12H2,1-3H3,(H,27,28)InChIKey
PTVVKLXGQNCQHR-UHFFFAOYSA-NSynonyms
370572-20-63((4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
3((4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
370572206
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)OC)C(=O)N(C1=O)C
InChI=1SC22H20N2O7c12319(25)16(20(26)24(2)22(23)29)10137817(18(1113)303)31121454615(914)21(27)28h411H12H213H3(H2728)
MFCD02374086
ZINC000008721829
ZINC8721829
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