Vitas-M small molecule compound
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK025202
SMILES Cc1ccc(s1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=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 C22H28O4S MW 388.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O4S/c1-12-6-7-17(27-12)20(18-13(23)8-21(2,3)9-14(18)24)19-15(25)10-22(4,5)11-16(19)26/h6-7,18,20,25H,8-11H2,1-5H3InChIKey
AIWLEVNDQYKFRQ-UHFFFAOYSA-NSynonyms
2((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)(5METHYLTHIOPHEN2YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(5METHYLTHIOPHEN2YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((44DIMETHYL26DIOXOCYCLOHEXYL)(5METHYL2THIENYL)METHYL)55DIMETHYL13CYCLOHEXANEDIONE
2((6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)(5METHYL(2THIENYL))METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1=CC=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O
Cc1ccc(s1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
InChI=1SC22H28O4Sc1126717(2712)20(1813(23)821(23)914(18)24)1915(25)1022(45)1116(19)26h67182025H811H215H3
MFCD00556530
STK025202
ZINC000100005123
ZINC000100005126
Check stock
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Check stock on Vitas-MAvailable files
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