Vitas-M small molecule compound
1-ethyl-6-fluoro-7-{4-[(furan-2-ylcarbonyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK333653
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1ccco1)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 C22H21FN4O5S MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O5S/c1-2-25-12-14(21(30)31)19(28)13-10-15(23)17(11-16(13)25)26-5-7-27(8-6-26)22(33)24-20(29)18-4-3-9-32-18/h3-4,9-12H,2,5-8H2,1H3,(H,30,31)(H,24,29,33)InChIKey
BRKOJIPIZGWEPU-UHFFFAOYSA-NSynonyms
329732-70-91ETHYL6FLUORO7(4((2FURYLCARBONYLAMINO)THIOXOMETHYL)PIPERAZINYL)4OXOHYDROQUINOLINE3CARBOXYLICACID
1ethyl6fluoro7(4((furan2carbonyl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ethyl6fluoro7(4((furan2ylcarbonyl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO7(4(FURAN2CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
329732709
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CO4)F)C(=O)O
InChI=1SC22H21FN4O5Sc12251214(21(30)31)19(28)131015(23)17(1116(13)25)265727(8626)22(33)2420(29)184393218h34912H258H21H3(H3031)(H242933)
MFCD01920498
ZINC000001084150
ZINC1084150
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