Vitas-M small molecule compound

2,2'-propane-1,1-diylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

Catalog ID
STK150183
SMILES CCC(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(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 C19H28O4 MW 320.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28O4/c1-6-11(16-12(20)7-18(2,3)8-13(16)21)17-14(22)9-19(4,5)10-15(17)23/h11,20,22H,6-10H2,1-5H3
InChIKey
WZFOYJQXRXGQTM-UHFFFAOYSA-N
Synonyms

22PROPANE11DIYLBIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
3HYDROXY2(1(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)PROPYL)55DIMETHYLCYCLOHEX2EN1ONE
CCC(C1=C(CC(CC1=O)(C)C)O)C2=C(CC(CC2=O)(C)C)O
InChI=1SC19H28O4c1611(1612(20)718(23)813(16)21)1714(22)919(45)1015(17)23h112022H610H215H3
MFCD06194871
ZINC000100930740
ZINC100930740

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.