Vitas-M small molecule compound
2-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-3,3,3-trifluoro-2-hydroxypropanoic acid
Catalog ID
STL314415
SMILES OC(=O)C(C(F)(F)F)(C1=C(NCc2ccccc2)CC(CC1=O)(C)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 C18H20F3NO4 MW 371.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F3NO4/c1-16(2)8-12(22-10-11-6-4-3-5-7-11)14(13(23)9-16)17(26,15(24)25)18(19,20)21/h3-7,22,26H,8-10H2,1-2H3,(H,24,25)InChIKey
BQHROQKTNQNITG-UHFFFAOYSA-NSynonyms
1401543-71-21401543712
2(2(benzylamino)44dimethyl6oxocyclohex1en1yl)333trifluoro2hydroxypropanoicacid
2(2(benzylamino)44dimethyl6oxocyclohexen1yl)333trifluoro2hydroxypropanoicacid
CC1(CC(=C(C(=O)C1)C(C(=O)O)(C(F)(F)F)O)NCC2=CC=CC=C2)C
InChI=1SC18H20F3NO4c116(2)812(2210116435711)14(13(23)916)17(2615(24)25)18(1920)21h372226H810H212H3(H2425)
MFCD22583065
ZINC000101411760
ZINC000101411764
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