Vitas-M small molecule compound
7-[4-(biphenyl-4-ylcarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STL383057
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1)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 C29H26FN3O4 MW 499.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN3O4/c1-2-31-18-23(29(36)37)27(34)22-16-24(30)26(17-25(22)31)32-12-14-33(15-13-32)28(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16-18H,2,12-15H2,1H3,(H,36,37)InChIKey
LGLYEXVYFHEEFM-UHFFFAOYSA-NSynonyms
1ethyl6fluoro4oxo7(4(4phenylbenzoyl)piperazin1yl)quinoline3carboxylicacid
7(4(biphenyl4ylcarbonyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)F)C(=O)O
InChI=1SC29H26FN3O4c12311823(29(36)37)27(34)221624(30)26(1725(22)31)32121433(151332)28(35)2110820(91121)196435719h3111618H21215H21H3(H3637)
MFCD03271461
ZINC000013178893
ZINC13178893
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