Vitas-M small molecule compound

methyl N-(cyclohexylcarbonyl)-3,3,3-trifluoro-2-[(tetrahydrofuran-2-ylmethyl)amino]alaninate

Catalog ID
STK682055
SMILES COC(=O)C(C(F)(F)F)(NC(=O)C1CCCCC1)NCC1CCCO1

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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 C16H25F3N2O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25F3N2O4/c1-24-14(23)15(16(17,18)19,20-10-12-8-5-9-25-12)21-13(22)11-6-3-2-4-7-11/h11-12,20H,2-10H2,1H3,(H,21,22)
InChIKey
FOXPTPQAPFYJSG-UHFFFAOYSA-N
Synonyms

COC(=O)C(C(F)(F)F)(NCC1CCCO1)NC(=O)C2CCCCC2
InChI=1SC16H25F3N2O4c12414(23)15(16(1718)192010128592512)2113(22)116324711h111220H210H21H3(H2122)
METHYL2(CYCLOHEXANECARBONYLAMINO)333TRIFLUORO2(OXOLAN2YLMETHYLAMINO)PROPANOATE
methylN(cyclohexylcarbonyl)333trifluoro2((tetrahydrofuran2ylmethyl)amino)alaninate
MFCD03821146
ZINC000019856744
ZINC000019856750

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Available files

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