Vitas-M small molecule compound
7-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK544506
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O
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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 C28H31FN4O5S MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN4O5S/c1-3-5-14-38-27(37)18-6-8-19(9-7-18)30-28(39)33-12-10-32(11-13-33)24-16-23-20(15-22(24)29)25(34)21(26(35)36)17-31(23)4-2/h6-9,15-17H,3-5,10-14H2,1-2H3,(H,30,39)(H,35,36)InChIKey
LWLLKFQLJLFCBE-UHFFFAOYSA-NSynonyms
488088-35-3488088353
7(4((4(butoxycarbonyl)phenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((4BUTOXYCARBONYLPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F
InChI=1SC28H31FN4O5Sc135143827(37)186819(9718)3028(39)33121032(111333)24162320(1522(24)29)25(34)21(26(35)36)1731(23)42h691517H351014H212H3(H3039)(H3536)
MFCD03287802
ZINC000098000077
ZINC98000077
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