Vitas-M small molecule compound
2-[(3,5-dichloro-4-hydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK668894
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cc(Cl)c(c(c1)Cl)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(11-5-12(24)21(30)13(25)6-11)20-16(28)9-23(3,4)10-17(20)29/h5-6,18-19,28,30H,7-10H2,1-4H3InChIKey
KQIZLVBNCWMTJP-UHFFFAOYSA-NSynonyms
2((35dichloro4hydroxyphenyl)(2hydroxy44dimethyl6oxocyclohex1en1yl)methyl)55dimethylcyclohexane13dione
2((35DICHLORO4HYDROXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((35DICHLORO4HYDROXYPHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C(=C2)Cl)O)Cl)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC23H26Cl2O5c122(2)714(26)19(15(27)822)18(11512(24)21(30)13(25)611)2016(28)923(34)1017(20)29h5618192830H710H214H3
MFCD00733487
ZINC000100027500
ZINC000100027503
Check stock
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