Vitas-M small molecule compound
2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STL383440
SMILES COc1cccc(c1OS(=O)(=O)c1ccc(cc1)C)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 C19H16N2O6S2 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O6S2/c1-11-6-8-13(9-7-11)29(24,25)27-16-12(4-3-5-15(16)26-2)10-14-17(22)20-19(28)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,28)InChIKey
YCRYZWCGZPYGPZ-UHFFFAOYSA-NSynonyms
494758-53-1(2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENYL)4METHYLBENZENESULFONATE
2((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)6methoxyphenyl4methylbenzenesulfonate
494758531
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C3C(=O)NC(=S)NC3=O
InChI=1SC19H16N2O6S2c1116813(9711)29(2425)271612(43515(16)262)101417(22)2019(28)2118(14)23h310H12H3(H22021222328)
MFCD02604558
ZINC000002726761
ZINC02726761
ZINC2726761
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