Vitas-M small molecule compound
3-[({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-en-1-yl}carbonyl)amino]benzoic acid
Catalog ID
STK674720
SMILES O=C(C1CC=CCC1C(=O)OCC(C(F)F)(F)F)Nc1cccc(c1)C(=O)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 C18H17F4NO5 MW 403.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F4NO5/c19-17(20)18(21,22)9-28-16(27)13-7-2-1-6-12(13)14(24)23-11-5-3-4-10(8-11)15(25)26/h1-5,8,12-13,17H,6-7,9H2,(H,23,24)(H,25,26)InChIKey
ZFLJYPCTGLQGNP-UHFFFAOYSA-NSynonyms
3(((6((2233tetrafluoropropoxy)carbonyl)cyclohex3en1yl)carbonyl)amino)benzoicacid
3((6(2233tetrafluoropropoxycarbonyl)cyclohex3ene1carbonyl)amino)benzoicacid
C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OCC(C(F)F)(F)F
InChI=1SC18H17F4NO5c1917(20)18(2122)92816(27)13721612(13)14(24)231153410(811)15(25)26h158121317H679H2(H2324)(H2526)
MFCD01460418
ZINC000001446326
ZINC000001446329
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