Vitas-M small molecule compound
1-ethyl-6-fluoro-4-oxo-7-{4-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK769789
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)C13CC4CC(C3)CC(C1)C4)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 C28H33FN4O4S MW 540.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33FN4O4S/c1-2-31-15-20(25(35)36)24(34)19-10-21(29)23(11-22(19)31)32-3-5-33(6-4-32)27(38)30-26(37)28-12-16-7-17(13-28)9-18(8-16)14-28/h10-11,15-18H,2-9,12-14H2,1H3,(H,35,36)(H,30,37,38)InChIKey
JUGJNAIDTYGORN-UHFFFAOYSA-NSynonyms
663938-97-41ethyl6fluoro4oxo7(4((tricyclo(3311~37~)dec1ylcarbonyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
663938974
7(4(((3r5r7r)adamantane1carbonyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4(ADAMANTANE1CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5)F)C(=O)O
InChI=1SC28H33FN4O4Sc12311520(25(35)36)24(34)191021(29)23(1122(19)31)323533(6432)27(38)3026(37)281216717(1328)918(816)1428h10111518H291214H21H3(H3536)(H303738)
MFCD03300289
ZINC000029748024
ZINC29748024
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