Vitas-M small molecule compound

bis[5-methyl-2-(propan-2-yl)cyclohexyl] {hydroxy[2-(trifluoromethyl)phenyl]methyl}phosphonate

Catalog ID
STK545088
SMILES CC1CCC(C(C1)OP(=O)(C(c1ccccc1C(F)(F)F)O)OC1CC(C)CCC1C(C)C)C(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 C28H44F3O4P MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44F3O4P/c1-17(2)21-13-11-19(5)15-25(21)34-36(33,35-26-16-20(6)12-14-22(26)18(3)4)27(32)23-9-7-8-10-24(23)28(29,30)31/h7-10,17-22,25-27,32H,11-16H2,1-6H3
InChIKey
ZQTYODIVDYYKHV-UHFFFAOYSA-N
Synonyms
BIS((5METHYL2PROPAN2YLCYCLOHEXYL)OXY)PHOSPHORYL(2(TRIFLUOROMETHYL)PHENYL)METHANOL
bis(2isopropyl5methylcyclohexyl)(hydroxy(2(trifluoromethyl)phenyl)methyl)phosphonate
bis(5methyl2(propan2yl)cyclohexyl)(hydroxy(2(trifluoromethyl)phenyl)methyl)phosphonate
CC1CCC(C(C1)OP(=O)(C(C2=CC=CC=C2C(F)(F)F)O)OC3CC(CCC3C(C)C)C)C(C)C
Registry IDs
MFCD03665861
ZINC000008738478
ZINC000239439259

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.