Vitas-M small molecule compound
7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK541702
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cc(ccc1Cl)C(F)(F)F)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 C24H21ClF4N4O3S MW 556.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClF4N4O3S/c1-2-31-12-15(22(35)36)21(34)14-10-17(26)20(11-19(14)31)32-5-7-33(8-6-32)23(37)30-18-9-13(24(27,28)29)3-4-16(18)25/h3-4,9-12H,2,5-8H2,1H3,(H,30,37)(H,35,36)InChIKey
XJNLOLXQKSKUTQ-UHFFFAOYSA-NSynonyms
488715-72-6488715726
7(4((2chloro5(trifluoromethyl)phenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)C(F)(F)F)Cl)F)C(=O)O
InChI=1SC24H21ClF4N4O3Sc12311215(22(35)36)21(34)141017(26)20(1119(14)31)325733(8632)23(37)3018913(24(2728)29)3416(18)25h34912H258H21H3(H3037)(H3536)
MFCD03290965
ZINC000001136872
ZINC1136872
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