Vitas-M small molecule compound
7-[4-(bicyclo[2.2.1]hept-5-en-2-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328866
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC1CC3CC1C=C3)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 C24H27FN4O3S MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN4O3S/c1-2-27-13-17(23(31)32)22(30)16-11-18(25)21(12-20(16)27)28-5-7-29(8-6-28)24(33)26-19-10-14-3-4-15(19)9-14/h3-4,11-15,19H,2,5-10H2,1H3,(H,26,33)(H,31,32)InChIKey
HFSAKXRIPFDHBM-UHFFFAOYSA-NSynonyms
1005127-76-31005127763
7(4(5BICYCLO(221)HEPT2ENYLCARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
7(4(bicyclo(221)hept5en2ylcarbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4CC5CC4C=C5)F)C(=O)O
InChI=1SC24H27FN4O3Sc12271317(23(31)32)22(30)161118(25)21(1220(16)27)285729(8628)24(33)261910143415(19)914h34111519H2510H21H3(H2633)(H3132)
MFCD05257082
ZINC000100156443
ZINC000100156446
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