Vitas-M small molecule compound
ethyl (2-chloro-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate
Catalog ID
STK190042
SMILES CCOC(=O)COc1c(Cl)cc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C22H18ClFN2O6S MW 492.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O6S/c1-3-31-18(27)11-32-19-16(23)9-12(10-17(19)30-2)8-15-20(28)25-22(33)26(21(15)29)14-6-4-13(24)5-7-14/h4-10H,3,11H2,1-2H3,(H,25,28,33)/b15-8-InChIKey
ZXOKIELTXREPQR-NVNXTCNLSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OC
CCOC(=O)COc1c(Cl)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
ETHYL(2CHLORO4((1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)6METHOXYPHENOXY)ACETATE
ETHYL(2CHLORO4((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6METHOXYPHENOXY)ACETATE
ETHYL2(2CHLORO4((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENOXY)ACETATE
InChI=1SC22H18ClFN2O6Sc133118(27)11321916(23)912(1017(19)302)81520(28)2522(33)26(21(15)29)146413(24)5714h410H311H212H3(H252833)b158
MFCD03226943
ZINC000000658532
ZINC00658532
ZINC658532
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.