Vitas-M small molecule compound

8-(azepanium-1-ylmethyl)-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate

Catalog ID
STK586556
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCCC1)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(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 C27H24F3NO4 MW 483.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F3NO4/c28-27(29,30)26-25(34-19-10-9-17-7-3-4-8-18(17)15-19)23(33)20-11-12-22(32)21(24(20)35-26)16-31-13-5-1-2-6-14-31/h3-4,7-12,15,32H,1-2,5-6,13-14,16H2
InChIKey
UJEDRMYFMVOPQL-UHFFFAOYSA-N
Synonyms
370854-03-8
(O)c1ccc2c(c1C(NH+)1CCCCCC1)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F
370854038
8(1AZEPANYLMETHYL)7HYDROXY3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8(AZAPERHYDROEPINYLMETHYL)7HYDROXY3(2NAPHTHYLOXY)2(TRIFLUOROMETHYL)CHROMEN4ONE
8(azepan1ium1ylmethyl)3naphthalen2yloxy4oxo2(trifluoromethyl)chromen7olate
8(AZEPAN1YLMETHYL)7HYDROXY3(NAPHTHALEN2YLOXY)2(TRIFLUOROMETHYL)4HCHROMEN4ONE
8(AZEPAN1YLMETHYL)7HYDROXY3NAPHTHALEN2YLOXY2(TRIFLUOROMETHYL)CHROMEN4ONE
8(azepanium1ylmethyl)3(naphthalen2yloxy)4oxo2(trifluoromethyl)4Hchromen7olate
C1CCC(NH+)(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)(O)
InChI=1SC27H24F3NO4c2827(2930)2625(341910917734818(17)1519)23(33)20111222(32)21(24(20)3526)16311351261431h347121532H1256131416H2
MFCD02359888
ZINC000001771787
ZINC1771787

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Available files

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