Vitas-M small molecule compound
methyl 3-oxo-5-phenyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
Catalog ID
STK684574
SMILES COC(=O)C12CCC(OC1=O)CC2c1ccccc1
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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 C15H16O4 MW 260.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16O4/c1-18-13(16)15-8-7-11(19-14(15)17)9-12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3InChIKey
HSKBLSWFXGMQQW-UHFFFAOYSA-NSynonyms
BICYCLO(222)OCTANE4CARBOXYLICACID3OXO5PHENYL2OXAMETHYLESTER
COC(=O)C12CCC(CC1C3=CC=CC=C3)OC2=O
InChI=1SC15H16O4c11813(16)158711(1914(15)17)912(15)105324610h261112H79H21H3
METHYL(1S4S5R)3OXO5PHENYL2OXABICYCLO(222)OCTANE4CARBOXYLATE
METHYL2OXO6PHENYL3OXABICYCLO(222)OCTANECARBOXYLATE
methyl3oxo5phenyl2oxabicyclo(222)octane4carboxylate
MFCD05855013
ZINC000001425877
ZINC000245255426
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