Vitas-M small molecule compound

bis[5-methyl-2-(propan-2-yl)cyclohexyl] [(4-chlorophenyl)(hydroxy)methyl]phosphonate

Catalog ID
STL001381
SMILES CC1CCC(C(C1)OP(=O)(C(c1ccc(cc1)Cl)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 C27H44ClO4P MW 499.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H44ClO4P/c1-17(2)23-13-7-19(5)15-25(23)31-33(30,27(29)21-9-11-22(28)12-10-21)32-26-16-20(6)8-14-24(26)18(3)4/h9-12,17-20,23-27,29H,7-8,13-16H2,1-6H3
InChIKey
KWRCYCMVQGXSCO-UHFFFAOYSA-N
Synonyms

BIS((5METHYL2PROPAN2YLCYCLOHEXYL)OXY)PHOSPHORYL(4CHLOROPHENYL)METHANOL
bis(2isopropyl5methylcyclohexyl)((4chlorophenyl)(hydroxy)methyl)phosphonate
BIS(5METHYL2(1METHYLETHYL)CYCLOHEXYL)((4CHLOROPHENYL)(HYDROXY)METHYL)PHOSPHONATE
bis(5methyl2(propan2yl)cyclohexyl)((4chlorophenyl)(hydroxy)methyl)phosphonate
CC1CCC(C(C1)OP(=O)(C(C2=CC=C(C=C2)Cl)O)OC3CC(CCC3C(C)C)C)C(C)C
InChI=1SC27H44ClO4Pc117(2)2313719(5)1525(23)3133(3027(29)2191122(28)121021)32261620(6)81424(26)18(3)4h9121720232729H781316H216H3
MFCD03295286
ZINC000009272460
ZINC000239338649

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Available files

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