Vitas-M small molecule compound
4,5,6-trimethoxy-7-[(pyrimidin-2-ylsulfanyl)methyl]-2-benzofuran-1(3H)-one
Catalog ID
STK666512
SMILES COc1c(CSc2ncccn2)c2C(=O)OCc2c(c1OC)OC
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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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-20-12-9-7-23-15(19)11(9)10(13(21-2)14(12)22-3)8-24-16-17-5-4-6-18-16/h4-6H,7-8H2,1-3H3InChIKey
YHXSGABLVWGZKO-UHFFFAOYSA-NSynonyms
456trimethoxy7((pyrimidin2ylsulfanyl)methyl)2benzofuran1(3H)one
456trimethoxy7(pyrimidin2ylsulfanylmethyl)3H2benzofuran1one
456TRIMETHOXY7(PYRIMIDIN2YLTHIOMETHYL)3HYDROISOBENZOFURAN1ONE
COC1=C(C(=C(C2=C1COC2=O)CSC3=NC=CC=N3)OC)OC
InChI=1SC16H16N2O5Sc12012972315(19)11(9)10(13(212)14(12)223)82416175461816h46H78H213H3
MFCD09064600
ZINC000012418071
ZINC12418071
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