Vitas-M small molecule compound
3-(4-fluorophenyl)-1-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Catalog ID
STL054046
SMILES COc1cccc(c1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)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 C21H21FN3O2 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O2/c1-27-18-5-2-4-17(12-18)23-20(26)14-24-13-19(25-11-3-6-21(24)25)15-7-9-16(22)10-8-15/h2,4-5,7-10,12-13H,3,6,11,14H2,1H3/p+1InChIKey
MJLQCFLMUGMOFO-UHFFFAOYSA-OSynonyms
2(3(4FLUOROPHENYL)67DIHYDRO5HPYRROLO(12A)IMIDAZOL1IUM1YL)N(3METHOXYPHENYL)ACETAMIDE
3(4fluorophenyl)1(2((3methoxyphenyl)amino)2oxoethyl)1567tetrahydropyrrolo(12a)imidazol4ium
COC1=CC=CC(=C1)NC(=O)C(N+)2=C3CCCN3C(=C2)C4=CC=C(C=C4)F
COc1cccc(c1)NC(=O)Cn1cc((n+)2c1CCC2)c1ccc(cc1)F
InChI=1SC21H20FN3O2c1271852417(1218)2320(26)14241319(25113621(24)25)157916(22)10815h2457101213H361114H21H3p+1
ZINC000013768837
ZINC01237326
ZINC02413369
ZINC13768837
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