Vitas-M small molecule compound
1-(difluoromethyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1H-3,1-benzimidazol-3-ium
Catalog ID
STK955059
SMILES O=C(c1ccc2c(c1)OCCO2)C[n+]1cn(c2c1cccc2)C(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 C18H15F2N2O3 MW 345.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F2N2O3/c19-18(20)22-11-21(13-3-1-2-4-14(13)22)10-15(23)12-5-6-16-17(9-12)25-8-7-24-16/h1-6,9,11,18H,7-8,10H2/q+1InChIKey
GFCMQEHLKHRFJU-UHFFFAOYSA-NSynonyms
1(difluoromethyl)3(2(23dihydro14benzodioxin6yl)2oxoethyl)1H31benzimidazol3ium
2(3(DIFLUOROMETHYL)BENZIMIDAZOL1IUM1YL)1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
C1COC2=C(O1)C=CC(=C2)C(=O)C(N+)3=CN(C4=CC=CC=C43)C(F)F
InChI=1SC18H15F2N2O3c1918(20)221121(13312414(13)22)1015(23)12561617(912)25872416h1691118H7810H2q+1
O=C(c1ccc2c(c1)OCCO2)C(n+)1cn(c2c1cccc2)C(F)F
ZINC000005814181
ZINC05814181
ZINC5814181
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