Vitas-M small molecule compound
3-({[2-(trifluoromethyl)phenyl]amino}methylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STK886708
SMILES O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1C(F)(F)F
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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 C17H16F3NO4 MW 355.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3NO4/c18-17(19,20)12-6-2-3-7-13(12)21-10-11-14(22)24-16(25-15(11)23)8-4-1-5-9-16/h2-3,6-7,10,21H,1,4-5,8-9H2InChIKey
KCEBJHDAYHUGBU-UHFFFAOYSA-NSynonyms
3(((2(trifluoromethyl)phenyl)amino)methylidene)15dioxaspiro(55)undecane24dione
3((2(trifluoromethyl)anilino)methylidene)15dioxaspiro(55)undecane24dione
9((2(TRIFLUOROMETHYL)ANILINO)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
C1CCC2(CC1)OC(=O)C(=CNC3=CC=CC=C3C(F)(F)F)C(=O)O2
InChI=1SC17H16F3NO4c1817(1920)12623713(12)21101114(22)2416(2515(11)23)8415916h23671021H14589H2
MFCD02936625
ZINC000001094977
ZINC01094977
ZINC1094977
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