Vitas-M small molecule compound
3-(2-phenylethyl)-2-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STK665596
SMILES COc1c(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)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 C28H26N2O6S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6S/c1-33-23-19-15-36-27(32)22(19)20(24(34-2)25(23)35-3)16-37-28-29-21-12-8-7-11-18(21)26(31)30(28)14-13-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3InChIKey
IQPXEROKNSMZKW-UHFFFAOYSA-NSynonyms
3(2phenylethyl)2(((567trimethoxy3oxo13dihydro2benzofuran4yl)methyl)sulfanyl)quinazolin4(3H)one
3(2phenylethyl)2((567trimethoxy3oxo1H2benzofuran4yl)methylsulfanyl)quinazolin4one
COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OC)OC
InChI=1SC28H26N2O6Sc1332319153627(32)22(19)20(24(342)25(23)353)163728292112871118(21)26(31)30(28)14131795461017h412H1316H213H3
MFCD09064759
ZINC000012418069
ZINC12418069
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