Vitas-M small molecule compound
7-{4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK683342
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cc(Cl)cc(c1)Cl)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 C23H21Cl2FN4O3S MW 523.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2FN4O3S/c1-2-28-12-17(22(32)33)21(31)16-10-18(26)20(11-19(16)28)29-3-5-30(6-4-29)23(34)27-15-8-13(24)7-14(25)9-15/h7-12H,2-6H2,1H3,(H,27,34)(H,32,33)InChIKey
JFLMLALBADHTDI-UHFFFAOYSA-NSynonyms
696639-59-5696639595
7(4((35dichlorophenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((35DICHLOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC(=CC(=C4)Cl)Cl)F)C(=O)O
InChI=1SC23H21Cl2FN4O3Sc12281217(22(32)33)21(31)161018(26)20(1119(16)28)293530(6429)23(34)2715813(24)714(25)915h712H26H21H3(H2734)(H3233)
MFCD05257465
ZINC000001127083
ZINC1127083
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