Vitas-M small molecule compound
4-methyl-5,6-diphenyl-7-propyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3,8-trione
Catalog ID
STL364723
SMILES CCCC12C3C(=O)OC(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)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 C25H22O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22O4/c1-3-14-25-18(16-12-8-5-9-13-16)17(15-10-6-4-7-11-15)24(2,23(25)28)19-20(25)22(27)29-21(19)26/h4-13,19-20H,3,14H2,1-2H3InChIKey
QWYDHHASCRHQDJ-UHFFFAOYSA-NSynonyms
4methyl56diphenyl7propyl3a477atetrahydro47methano2benzofuran138trione
CCCC12C3C(C(=O)OC3=O)C(C1=O)(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C
InChI=1SC25H22O4c13142518(16128591316)17(15106471115)24(223(25)28)1920(25)22(27)2921(19)26h4131920H314H212H3
MFCD08575727
ZINC000101082004
ZINC000108507215
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