Vitas-M small molecule compound
ethyl 6-(heptan-3-yl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
Catalog ID
STK086176
SMILES CCCCC(C1CC(=O)C=C(C1C(=O)OCC)C)CC
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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 C17H28O3 MW 280.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28O3/c1-5-8-9-13(6-2)15-11-14(18)10-12(4)16(15)17(19)20-7-3/h10,13,15-16H,5-9,11H2,1-4H3InChIKey
VOMWEKBBFUHRJE-UHFFFAOYSA-NSynonyms
6(1ETHYLPENTYL)2METHYL4OXOCYCLOHEX2ENECARBOXYLICACIDETHYLESTER
CCCCC(C1CC(=O)C=C(C1C(=O)OCC)C)CC
CCCCC(CC)C1CC(=O)C=C(C1C(=O)OCC)C
ETHYL(1S6R)6((3S)HEPTAN3YL)2METHYL4OXOCYCLOHEX2ENE1CARBOXYLATE
ETHYL6(HEPTAN3YL)2METHYL4OXOCYCLOHEX2ENE1CARBOXYLATE
ETHYL6(HEPTAN3YL)2METHYL4OXOCYCLOHEX2ENECARBOXYLATE
ETHYL6HEPTAN3YL2METHYL4OXOCYCLOHEX2ENE1CARBOXYLATE
InChI=1SC17H28O3c158913(62)151114(18)1012(4)16(15)17(19)2073h10131516H5911H214H3
MFCD00482084
STK086176
ZINC000003881995
ZINC000239425987
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