Vitas-M small molecule compound
2-[(3,5-dichloro-2-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK079230
SMILES Clc1cc(Cl)c(c(c1)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 C23H26Cl2O5 MW 453.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26Cl2O5/c1-22(2)7-14(26)19(15(27)8-22)18(12-5-11(24)6-13(25)21(12)30)20-16(28)9-23(3,4)10-17(20)29/h5-6,18-19,28,30H,7-10H2,1-4H3InChIKey
HYPXKULHEOOXLG-UHFFFAOYSA-NSynonyms
2((35DICHLORO2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((35DICHLORO2HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=CC(=C2O)Cl)Cl)C3=C(CC(CC3=O)(C)C)O)C
Clc1cc(Cl)c(c(c1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C)O
InChI=1SC23H26Cl2O5c122(2)714(26)19(15(27)822)18(12511(24)613(25)21(12)30)2016(28)923(34)1017(20)29h5618192830H710H214H3
MFCD00339886
STK079230
ZINC000100004692
ZINC000100004693
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