Vitas-M small molecule compound

dipropan-2-yl [(4-methylphenyl){[3-(trifluoromethyl)phenyl]amino}methyl]phosphonate

Catalog ID
STK332171
SMILES Cc1ccc(cc1)C(P(=O)(OC(C)C)OC(C)C)Nc1cccc(c1)C(F)(F)F

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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 C21H27F3NO3P MW 429.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27F3NO3P/c1-14(2)27-29(26,28-15(3)4)20(17-11-9-16(5)10-12-17)25-19-8-6-7-18(13-19)21(22,23)24/h6-15,20,25H,1-5H3
InChIKey
NQRQSCJVSDBJJQ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(NC2=CC=CC(=C2)C(F)(F)F)P(=O)(OC(C)C)OC(C)C
dipropan2yl((4methylphenyl)((3(trifluoromethyl)phenyl)amino)methyl)phosphonate
InChI=1SC21H27F3NO3Pc114(2)2729(262815(3)4)20(1711916(5)101217)251986718(1319)21(2223)24h6152025H15H3
MFCD00344751
N(DI(PROPAN2YLOXY)PHOSPHORYL(4METHYLPHENYL)METHYL)3(TRIFLUOROMETHYL)ANILINE
ZINC000003109476
ZINC000003109477

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Available files

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