Vitas-M small molecule compound

methyl 3,3,3-trifluoro-N-[(2-methoxyphenyl)carbamoyl]-2-phenoxyalaninate

Catalog ID
STK683279
SMILES COc1ccccc1NC(=O)NC(C(F)(F)F)(C(=O)OC)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 C18H17F3N2O5 MW 398.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N2O5/c1-26-14-11-7-6-10-13(14)22-16(25)23-17(15(24)27-2,18(19,20)21)28-12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,22,23,25)
InChIKey
NHDVVOKUFRBZKD-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1NC(=O)NC(C(=O)OC)(C(F)(F)F)OC2=CC=CC=C2
InChI=1SC18H17F3N2O5c1261411761013(14)2216(25)2317(15(24)27218(1920)21)28128435912h311H12H3(H2222325)
METHYL333TRIFLUORO2((2METHOXYPHENYL)CARBAMOYLAMINO)2PHENOXYPROPANOATE
methyl333trifluoroN((2methoxyphenyl)carbamoyl)2phenoxyalaninate
MFCD05257273
ZINC000004686445
ZINC000004686447

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Available files

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