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7-[4-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}carbamothioyl)piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Catalog ID
STL045562
SMILES CCn1cc(C(=O)[O-])c(=O)c2c1cc(c(c2)F)[NH+]1CCN(CC1)C(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

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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 C28H24Cl2FN5O5S MW 632.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2FN5O5S/c1-3-34-13-16(27(39)40)25(37)15-11-19(31)21(12-20(15)34)35-7-9-36(10-8-35)28(42)32-26(38)22-14(2)41-33-24(22)23-17(29)5-4-6-18(23)30/h4-6,11-13H,3,7-10H2,1-2H3,(H,39,40)(H,32,38,42)
InChIKey
UGEHTNOMYIOFST-UHFFFAOYSA-N
Synonyms
500278-27-3
500278273
7(4(((3(26dichlorophenyl)5methyl12oxazol4yl)carbonyl)carbamothioyl)piperazin1ium1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylate
7(4((3(26DICHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)CARBAMOTHIOYL)PIPERAZIN1IUM1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLATE
7(4((3(26DICHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)(NH+)3CCN(CC3)C(=S)NC(=O)C4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C)F)C(=O)(O)
CCn1cc(C(=O)(O))c(=O)c2c1cc(c(c2)F)(NH+)1CCN(CC1)C(=S)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
InChI=1SC28H24Cl2FN5O5Sc13341316(27(39)40)25(37)151119(31)21(1220(15)34)357936(10835)28(42)3226(38)2214(2)413324(22)2317(29)54618(23)30h461113H3710H212H3(H3940)(H323842)
MFCD03303373
ZINC000098000372
ZINC98000372

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Available files

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