Vitas-M small molecule compound
4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenyl 4-methoxybenzenesulfonate
Catalog ID
STL181411
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)OC)C=C1C(=O)NC(=S)NC1=O
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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 C20H18N2O7S2 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7S2/c1-3-28-17-11-12(10-15-18(23)21-20(30)22-19(15)24)4-9-16(17)29-31(25,26)14-7-5-13(27-2)6-8-14/h4-11H,3H2,1-2H3,(H2,21,22,23,24,30)InChIKey
QNXDSDDRKIKKPP-UHFFFAOYSA-NSynonyms
431922-49-5(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENYL)4METHOXYBENZENESULFONATE
4((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2ETHOXYPHENYL4METHOXYBENZENESULFONATE
4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2ethoxyphenyl4methoxybenzenesulfonate
431922495
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OS(=O)(=O)C3=CC=C(C=C3)OC
InChI=1SC20H18N2O7S2c1328171112(101518(23)2120(30)2219(15)24)4916(17)2931(2526)147513(272)6814h411H3H212H3(H22122232430)
MFCD02611591
ZINC000002789075
ZINC02789075
ZINC2789075
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