Vitas-M small molecule compound
7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK544239
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(cc1)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 C30H29FN4O4S MW 560.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN4O4S/c1-2-33-18-24(29(37)38)28(36)23-16-25(31)27(17-26(23)33)34-12-14-35(15-13-34)30(40)32-21-8-10-22(11-9-21)39-19-20-6-4-3-5-7-20/h3-11,16-18H,2,12-15,19H2,1H3,(H,32,40)(H,37,38)InChIKey
JDOVWVGHWHKLIC-UHFFFAOYSA-NSynonyms
497867-78-41ETHYL6FLUORO4OXO7(4((4PHENYLMETHOXYPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
497867784
7(4((4(benzyloxy)phenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)F)C(=O)O
InChI=1SC30H29FN4O4Sc12331824(29(37)38)28(36)231625(31)27(1726(23)33)34121435(151334)30(40)322181022(11921)3919206435720h3111618H2121519H21H3(H3240)(H3738)
MFCD03301105
ZINC000033354453
ZINC33354453
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