Vitas-M small molecule compound
methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate
Catalog ID
STK039519
SMILES COC(=O)C1C(=CC(=O)CC1C(C)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 C12H18O3 MW 210.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18O3/c1-7(2)10-6-9(13)5-8(3)11(10)12(14)15-4/h5,7,10-11H,6H2,1-4H3InChIKey
HSQPQEKBIHGLEZ-UHFFFAOYSA-NSynonyms
174642-98-9174642989
CC1=CC(=O)CC(C1C(=O)OC)C(C)C
COC(=O)C1C(=CC(=O)CC1C(C)C)C
InChI=1SC12H18O3c17(2)1069(13)58(3)11(10)12(14)154h571011H6H214H3
METHYL2METHYL4OXO6(PROPAN2YL)CYCLOHEX2ENE1CARBOXYLATE
METHYL2METHYL4OXO6PROPAN2YLCYCLOHEX2ENE1CARBOXYLATE
METHYL6ISOPROPYL2METHYL4OXOCYCLOHEX2ENECARBOXYLATE
MFCD00482046
STK039519
ZINC000000492625
ZINC000003881402
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