Vitas-M small molecule compound
methyl {2,6-dichloro-4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Catalog ID
STK047830
SMILES COC(=O)COc1c(Cl)cc(cc1Cl)C=C1C(=O)N(C)C(=S)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 C16H14Cl2N2O5S MW 417.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14Cl2N2O5S/c1-19-14(22)9(15(23)20(2)16(19)26)4-8-5-10(17)13(11(18)6-8)25-7-12(21)24-3/h4-6H,7H2,1-3H3InChIKey
ODDGEVCBZNRASX-UHFFFAOYSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)OC)Cl)C(=O)N(C1=S)C
COC(=O)COc1c(Cl)cc(cc1Cl)C=C1C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC16H14Cl2N2O5Sc11914(22)9(15(23)20(2)16(19)26)48510(17)13(11(18)68)25712(21)243h46H7H213H3
METHYL(26DICHLORO4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
methyl2(26dichloro4((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetate
MFCD02779572
STK047830
ZINC000009311585
ZINC09311585
ZINC9311585
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