Vitas-M small molecule compound
1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK544760
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccccc1)c(c2)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 C23H23FN4O3S MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN4O3S/c1-2-26-14-17(22(30)31)21(29)16-12-18(24)20(13-19(16)26)27-8-10-28(11-9-27)23(32)25-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,25,32)(H,30,31)InChIKey
KPOSUSCFOQNLEN-UHFFFAOYSA-NSynonyms
500272-21-91ethyl6fluoro4oxo7(4(phenylcarbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO4OXO7(4(PHENYLCARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
500272219
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4)F)C(=O)O
InChI=1SC23H23FN4O3Sc12261417(22(30)31)21(29)161218(24)20(1319(16)26)2781028(11927)23(32)25156435715h371214H2811H21H3(H2532)(H3031)
MFCD03302831
ZINC000002352687
ZINC2352687
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