Vitas-M small molecule compound
7-[4-({[3-(benzyloxy)phenyl]carbonyl}carbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK543602
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1cccc(c1)OCc1ccccc1)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 C31H29FN4O5S MW 588.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O5S/c1-2-34-18-24(30(39)40)28(37)23-16-25(32)27(17-26(23)34)35-11-13-36(14-12-35)31(42)33-29(38)21-9-6-10-22(15-21)41-19-20-7-4-3-5-8-20/h3-10,15-18H,2,11-14,19H2,1H3,(H,39,40)(H,33,38,42)InChIKey
CTFKAGQKZGNDNV-UHFFFAOYSA-NSynonyms
489443-71-21ETHYL6FLUORO4OXO7(4((3PHENYLMETHOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
489443712
7(4(((3(benzyloxy)phenyl)carbonyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((3(benzyloxy)benzoyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5)F)C(=O)O
InChI=1SC31H29FN4O5Sc12341824(30(39)40)28(37)231625(32)27(1726(23)34)35111336(141235)31(42)3329(38)21961022(1521)4119207435820h3101518H2111419H21H3(H3940)(H333842)
MFCD03297384
ZINC000098000161
ZINC98000161
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