Vitas-M small molecule compound
8-(azepanium-1-ylmethyl)-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Catalog ID
STK597918
SMILES COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCCCC1)[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 C24H24F3NO4 MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F3NO4/c1-31-19-9-5-4-8-15(19)20-21(30)16-10-11-18(29)17(14-28-12-6-2-3-7-13-28)22(16)32-23(20)24(25,26)27/h4-5,8-11,29H,2-3,6-7,12-14H2,1H3InChIKey
KJEXVWOIFYUOMU-UHFFFAOYSA-NSynonyms
303119-49-5303119495
8(AZAPERHYDROEPINYLMETHYL)7HYDROXY3(2METHOXYPHENYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
8(AZEPAN1YLMETHYL)7HYDROXY3(2METHOXYPHENYL)2(TRIFLUOROMETHYL)CHROMEN4ONE
8(azepanium1ylmethyl)3(2methoxyphenyl)4oxo2(trifluoromethyl)4Hchromen7olate
COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F
COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C(NH+)1CCCCCC1)(O)
InChI=1SC24H24F3NO4c13119954815(19)2021(30)16101118(29)17(14281262371328)22(16)3223(20)24(2526)27h4581129H23671214H21H3
MFCD02081745
ZINC000001780031
ZINC1780031
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