Vitas-M small molecule compound
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK757201
SMILES COc1cc(ccc1OC(=O)c1cc(F)c(cc1Cl)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 C21H15ClF2N2O6 MW 464.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClF2N2O6/c1-25-18(27)12(19(28)26(2)21(25)30)6-10-4-5-16(17(7-10)31-3)32-20(29)11-8-14(23)15(24)9-13(11)22/h4-9H,1-3H3InChIKey
TYYGMVKGZVWJQM-UHFFFAOYSA-NSynonyms
(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)2CHLORO45DIFLUOROBENZOATE
4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenyl2chloro45difluorobenzoate
CN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3Cl)F)F)OC)C(=O)N(C1=O)C
InChI=1SC21H15ClF2N2O6c12518(27)12(19(28)26(2)21(25)30)6104516(17(710)313)3220(29)11814(23)15(24)913(11)22h49H13H3
MFCD01029701
ZINC000002906554
ZINC02906554
ZINC2906554
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