Vitas-M small molecule compound
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 4-fluorobenzenesulfonate
Catalog ID
STK761362
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)F)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 C20H17FN2O7S MW 448.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN2O7S/c1-22-18(24)15(19(25)23(2)20(22)26)10-12-4-9-16(17(11-12)29-3)30-31(27,28)14-7-5-13(21)6-8-14/h4-11H,1-3H3InChIKey
MSTLGIGFKQTUQT-UHFFFAOYSA-NSynonyms
(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)4FLUOROBENZENESULFONATE
4((13DIMETHYL246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2METHOXYPHENYL4FLUOROBENZENESULFONATE
4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenyl4fluorobenzenesulfonate
CN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)OC)C(=O)N(C1=O)C
InChI=1SC20H17FN2O7Sc12218(24)15(19(25)23(2)20(22)26)10124916(17(1112)293)3031(2728)147513(21)6814h411H13H3
MFCD01160936
ZINC000002189159
ZINC02189159
ZINC2189159
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