Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate

Catalog ID
STK079160
SMILES COC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)C)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 C22H19F9N2O4 MW 546.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F9N2O4/c1-11-4-6-13(7-5-11)16(34)33-19(21(26,27)28,22(29,30)31)32-15-9-8-14(10-12(15)2)18(36,17(35)37-3)20(23,24)25/h4-10,32,36H,1-3H3,(H,33,34)
InChIKey
APDXFMDWLBPKTM-UHFFFAOYSA-N
Synonyms
330831-67-9
(R)methyl333trifluoro2(4((111333hexafluoro2(4methylbenzamido)propan2yl)amino)3methylphenyl)2hydroxypropanoate
330831679
CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=C(C=C(C=C2)C(C(=O)OC)(C(F)(F)F)O)C
COC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccc(cc1)C)O
InChI=1SC22H19F9N2O4c1114613(7511)16(34)3319(21(2627)2822(2930)31)32159814(1012(15)2)18(3617(35)373)20(2324)25h4103236H13H3(H3334)
methyl333trifluoro2(4((111333hexafluoro2(((4methylphenyl)carbonyl)amino)propan2yl)amino)3methylphenyl)2hydroxypropanoate
methyl333trifluoro2(4((111333hexafluoro2((4methylbenzoyl)amino)propan2yl)amino)3methylphenyl)2hydroxypropanoate
MFCD01448188
STK079160
ZINC000002272522
ZINC000002272523

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Available files

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