Vitas-M small molecule compound
methyl 3-acetyl-1-chloro-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Catalog ID
STK782879
SMILES COC(=O)C1(Cl)C(=C(C(=O)C)C(=O)CC1(C)C)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 C12H15ClO5 MW 274.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15ClO5/c1-6(14)8-7(15)5-11(2,3)12(13,9(8)16)10(17)18-4/h16H,5H2,1-4H3InChIKey
PVZGPWNIGJGZFU-UHFFFAOYSA-NSynonyms
CC(=O)C1=C(C(C(CC1=O)(C)C)(C(=O)OC)Cl)O
InChI=1SC12H15ClO5c16(14)87(15)511(23)12(139(8)16)10(17)184h16H5H214H3
methyl3acetyl1chloro2hydroxy66dimethyl4oxocyclohex2ene1carboxylate
MFCD06617087
ZINC000004625881
ZINC000004625882
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