Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-hydroxy-2-{3-methyl-4-[(naphthalen-2-ylcarbamoyl)amino]phenyl}propanoate

Catalog ID
STK377939
SMILES COC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)NC(=O)Nc1ccc2c(c1)cccc2)O

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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 C22H19F3N2O4 MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O4/c1-13-11-16(21(30,19(28)31-2)22(23,24)25)8-10-18(13)27-20(29)26-17-9-7-14-5-3-4-6-15(14)12-17/h3-12,30H,1-2H3,(H2,26,27,29)
InChIKey
POYJSOXNMKGSQR-UHFFFAOYSA-N
Synonyms
305863-69-8
305863698
CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)NC2=CC3=CC=CC=C3C=C2
InChI=1SC22H19F3N2O4c1131116(21(3019(28)312)22(2324)25)81018(13)2720(29)26179714534615(14)1217h31230H12H3(H2262729)
METHYL(2R)333TRIFLUORO2HYDROXY2(3METHYL4((NAPHTHALEN2YLCARBAMOYL)AMINO)PHENYL)PROPANOATE
METHYL333TRIFLUORO2HYDROXY2(3METHYL4(((2NAPHTHYLAMINO)CARBONYL)AMINO)PHENYL)PROPANOATE
METHYL333TRIFLUORO2HYDROXY2(3METHYL4((N(2NAPHTHYL)CARBAMOYL)AMINO)PHENYL)PROPANOATE
methyl333trifluoro2hydroxy2(3methyl4((naphthalen2ylcarbamoyl)amino)phenyl)propanoate
methyl333trifluoro2hydroxy2(3methyl4(3(naphthalen2yl)ureido)phenyl)propanoate
METHYL333TRIFLUORO2HYDROXY2(3METHYL4(NAPHTHALEN2YLCARBAMOYLAMINO)PHENYL)PROPANOATE
MFCD00789258
ZINC000002345447
ZINC000002345448

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Available files

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