Vitas-M small molecule compound
2,2'-{[2-(trifluoromethyl)phenyl]methanediyl}bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STK150144
SMILES OC1=C(C(=O)CC(C1)(C)C)C(c1ccccc1C(F)(F)F)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 C24H27F3O4 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27F3O4/c1-22(2)9-15(28)20(16(29)10-22)19(13-7-5-6-8-14(13)24(25,26)27)21-17(30)11-23(3,4)12-18(21)31/h5-8,19,28,30H,9-12H2,1-4H3InChIKey
SJHRUOFFLPUEPT-UHFFFAOYSA-NSynonyms
22((2(TRIFLUOROMETHYL)PHENYL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
3HYDROXY2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(2(TRIFLUOROMETHYL)PHENYL)METHYL)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=C(C(=O)C1)C(C2=CC=CC=C2C(F)(F)F)C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC24H27F3O4c122(2)915(28)20(16(29)1022)19(13756814(13)24(2526)27)2117(30)1123(34)1218(21)31h58192830H912H214H3
MFCD06194868
ZINC000101624564
ZINC101624564
Check stock
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Check stock on Vitas-MAvailable files
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