Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(naphthalen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK081539
SMILES O=C1CC(C)(C)CC(=O)C1C(c1cccc2c1cccc2)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 C27H30O4 MW 418.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O4/c1-26(2)12-19(28)24(20(29)13-26)23(25-21(30)14-27(3,4)15-22(25)31)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,23-24,30H,12-15H2,1-4H3InChIKey
WNMFUGGGXYQVAC-UHFFFAOYSA-NSynonyms
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(NAPHTHALEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)NAPHTHALEN1YLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)NAPHTHYLMETHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC3=CC=CC=C32)C4=C(CC(CC4=O)(C)C)O)C
InChI=1SC27H30O4c126(2)1219(28)24(20(29)1326)23(2521(30)1427(34)1522(25)31)181179168561017(16)18h511232430H1215H214H3
MFCD00554579
O=C1CC(C)(C)CC(=O)C1C(c1cccc2c1cccc2)C1=C(O)CC(CC1=O)(C)C
STK081539
ZINC000100004745
ZINC000100004746
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