Vitas-M small molecule compound
7-{4-[(4-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328929
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(cc1)Cl)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 C23H22ClFN4O3S MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClFN4O3S/c1-2-27-13-17(22(31)32)21(30)16-11-18(25)20(12-19(16)27)28-7-9-29(10-8-28)23(33)26-15-5-3-14(24)4-6-15/h3-6,11-13H,2,7-10H2,1H3,(H,26,33)(H,31,32)InChIKey
UNTRUIIPVRWGAB-UHFFFAOYSA-NSynonyms
708216-02-87(4((4CHLOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1IUM1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLATE
7(4((4chlorophenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((4CHLOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
708216028
CCN1C=C(C(=O)C2=CC(=C(C=C21)(NH+)3CCN(CC3)C(=S)NC4=CC=C(C=C4)Cl)F)C(=O)(O)
InChI=1SC23H22ClFN4O3Sc12271317(22(31)32)21(30)161118(25)20(1219(16)27)287929(10828)23(33)26155314(24)4615h361113H2710H21H3(H2633)(H3132)
ZINC2413403
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