Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)alaninate

Catalog ID
STK770538
SMILES COC(=O)C(C(F)(F)F)(c1cc(OC)c(c(c1)OC)O)Nc1ccc(cc1)Oc1ccccc1

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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 C24H22F3NO6 MW 477.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22F3NO6/c1-31-19-13-15(14-20(32-2)21(19)29)23(22(30)33-3,24(25,26)27)28-16-9-11-18(12-10-16)34-17-7-5-4-6-8-17/h4-14,28-29H,1-3H3
InChIKey
KYCPCWORHLUSLI-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC(=C1O)OC)C(C(=O)OC)(C(F)(F)F)NC2=CC=C(C=C2)OC3=CC=CC=C3
InChI=1SC24H22F3NO6c131191315(1420(322)21(19)29)23(22(30)33324(2526)27)281691118(121016)34177546817h4142829H13H3
METHYL333TRIFLUORO2(4HYDROXY35DIMETHOXYPHENYL)2(4PHENOXYANILINO)PROPANOATE
methyl333trifluoro2(4hydroxy35dimethoxyphenyl)N(4phenoxyphenyl)alaninate
MFCD00840235
ZINC000008846736
ZINC000008846737

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Available files

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