Vitas-M small molecule compound

2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK005358
SMILES OCC(C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(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 C19H28O6 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28O6/c1-18(2)5-10(21)15(11(22)6-18)17(14(25)9-20)16-12(23)7-19(3,4)8-13(16)24/h14-15,17,20,23,25H,5-9H2,1-4H3
InChIKey
FWHOAFPFQCIKGL-UHFFFAOYSA-N
Synonyms

2(23DIHYDROXY1(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)PROPYL)55DIMETHYL13CYCLOHEXANEDIONE
2(23DIHYDROXY1(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)PROPYL)55DIMETHYLCYCLOHEXANE13DIONE
2(23DIHYDROXY1(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)PROPYL)55DIMETHYLCYCLOHEXANE13DIONE
2(23DIHYDROXY1(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)PROPYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)C(CO)O)C
InChI=1SC19H28O6c118(2)510(21)15(11(22)618)17(14(25)920)1612(23)719(34)813(16)24h141517202325H59H214H3
MFCD00627541
OCC(C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O
STK005358
ZINC000100006615
ZINC000100006620

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Available files

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