Vitas-M small molecule compound
methyl 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
Catalog ID
STL090312
SMILES COC(=O)c1c(C)oc2c1C(=O)CC(C2)(C)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 C13H16O4 MW 236.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16O4/c1-7-10(12(15)16-4)11-8(14)5-13(2,3)6-9(11)17-7/h5-6H2,1-4H3InChIKey
UGFFSNCADAMKDT-UHFFFAOYSA-NSynonyms
CC1=C(C2=C(O1)CC(CC2=O)(C)C)C(=O)OC
InChI=1SC13H16O4c1710(12(15)164)118(14)513(23)69(11)177h56H214H3
methyl266trimethyl4oxo4567tetrahydro1benzofuran3carboxylate
METHYL266TRIMETHYL4OXO567TRIHYDROBENZO(12B)FURAN3CARBOXYLATE
methyl266trimethyl4oxo57dihydro1benzofuran3carboxylate
MFCD00171143
ZINC000022126465
ZINC22126465
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