Vitas-M small molecule compound
7-(4-{[(2-bromophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK678151
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1ccccc1Br)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 C24H22BrFN4O4S MW 561.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrFN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)InChIKey
KHDBEWKALZMIDG-UHFFFAOYSA-NSynonyms
442642-73-17(4((((2BROMOPHENYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)1PIPERAZINYL)1ETHYL6FLUORO4OXO3QUINOLINECARBOXYLICACID
7(4(((2bromophenyl)carbonyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4(((2BROMOPHENYL)CARBONYLAMINO)THIOXOMETHYL)PIPERAZINYL)1ETHYL6FLUORO4OXOHYDROQUINOLINE3CARBOXYLICACID
7(4((2BROMOBENZOYL)CARBAMOTHIOYL)PIPERAZIN1IUM1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLATE
7(4((2bromobenzoyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((2BROMOBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
7(4((2BROMOBENZOYL)THIOCARBAMOYL)PIPERAZINO)1ETHYL6FLUORO4KETOQUINOLINE3CARBOXYLICACID
7(4((2BROMOPHENYL)CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORANYL4OXIDANYLIDENEQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)(NH+)3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4Br)F)C(=O)(O)
InChI=1SC24H22BrFN4O4Sc12281316(23(33)34)21(31)151118(26)20(1219(15)28)297930(10829)24(35)2722(32)14534617(14)25h361113H2710H21H3(H3334)(H273235)
MFCD03036575
ZINC000000719854
ZINC719854
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