Vitas-M small molecule compound
7-{4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK778261
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc(c(c1)Cl)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 C23H21ClF2N4O3S MW 506.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClF2N4O3S/c1-2-28-12-15(22(32)33)21(31)14-10-18(26)20(11-19(14)28)29-5-7-30(8-6-29)23(34)27-13-3-4-17(25)16(24)9-13/h3-4,9-12H,2,5-8H2,1H3,(H,27,34)(H,32,33)InChIKey
ULHZTEPVUWQULB-UHFFFAOYSA-NSynonyms
697239-61-5697239615
7(4((3CHLORO4FLUOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
7(4((3CHLORO4FLUOROPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC(=C(C=C4)F)Cl)F)C(=O)O
InChI=1SC23H21ClF2N4O3Sc12281215(22(32)33)21(31)141018(26)20(1119(14)28)295730(8629)23(34)27133417(25)16(24)913h34912H258H21H3(H2734)(H3233)
MFCD04168216
ZINC000001252966
ZINC1252966
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