Vitas-M small molecule compound
methyl {4-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}acetate
Catalog ID
STK191812
SMILES COC(=O)COc1ccc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C21H18N2O6S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S/c1-27-17-11-13(8-9-16(17)29-12-18(24)28-2)10-15-19(25)22-21(30)23(20(15)26)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,25,30)/b15-10+InChIKey
QTWARIQGBPTFHM-XNTDXEJSSA-NSynonyms
COC(=O)COc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC(=O)OC
InChI=1SC21H18N2O6Sc127171113(8916(17)291218(24)282)101519(25)2221(30)23(20(15)26)146435714h311H12H212H3(H222530)b1510+
METHYL(4((E)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
methyl2(4((E)(46dioxo1phenyl2sulfanylidene13diazinan5ylidene)methyl)2methoxyphenoxy)acetate
MFCD02085170
ZINC000009310974
ZINC09310974
ZINC9310974
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