Vitas-M small molecule compound
3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
Catalog ID
STK965320
SMILES O=C1CC(C)(C)Cc2c1c(C)c(o2)C(=O)O
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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 C12H14O4 MW 222.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h4-5H2,1-3H3,(H,14,15)InChIKey
AUDCUKXUYOTTBM-UHFFFAOYSA-NSynonyms
121625-80-7121625807
366trimethyl4oxo4567tetrahydro1benzofuran2carboxylicacid
366trimethyl4oxo4567tetrahydrobenzofuran2carboxylicacid
366TRIMETHYL4OXO567TRIHYDROBENZO(12B)FURAN2CARBOXYLICACID
366TRIMETHYL4OXO57DIHYDRO1BENZOFURAN2CARBOXYLICACID
CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)O
InChI=1SC12H14O4c1697(13)412(23)58(9)1610(6)11(14)15h45H213H3(H1415)
MFCD03861577
ZINC000003866235
ZINC3866235
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