Vitas-M small molecule compound

7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK541552
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccccc1Cl)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/c1-2-27-13-15(22(31)32)21(30)14-11-17(25)20(12-19(14)27)28-7-9-29(10-8-28)23(33)26-18-6-4-3-5-16(18)24/h3-6,11-13H,2,7-10H2,1H3,(H,26,33)(H,31,32)
InChIKey
YMZMVKGMUVFYQD-UHFFFAOYSA-N
Synonyms
497863-86-2
497863862
7(4((2chlorophenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((2CHLOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)F)C(=O)O
InChI=1SC23H22ClFN4O3Sc12271315(22(31)32)21(30)141117(25)20(1219(14)27)287929(10828)23(33)2618643516(18)24h361113H2710H21H3(H2633)(H3132)
MFCD03300790
ZINC000003644920
ZINC3644920

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Available files

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