Vitas-M small molecule compound
1-ethyl-6-fluoro-4-oxo-7-{4-[(pyridin-3-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK333654
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1cccnc1)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 C23H22FN5O4S MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O4S/c1-2-27-13-16(22(32)33)20(30)15-10-17(24)19(11-18(15)27)28-6-8-29(9-7-28)23(34)26-21(31)14-4-3-5-25-12-14/h3-5,10-13H,2,6-9H2,1H3,(H,32,33)(H,26,31,34)InChIKey
MVQBZPWHTMOUKJ-UHFFFAOYSA-NSynonyms
679823-09-71ethyl6fluoro4oxo7(4((pyridin3ylcarbonyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ethyl6fluoro4oxo7(4(pyridine3carbonylcarbamothioyl)piperazin1yl)quinoline3carboxylicacid
679823097
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=CC=C4)F)C(=O)O
InChI=1SC23H22FN5O4Sc12271316(22(32)33)20(30)151017(24)19(1118(15)27)286829(9728)23(34)2621(31)14435251214h351013H269H21H3(H3233)(H263134)
MFCD01920778
ZINC000002746846
ZINC2746846
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