Vitas-M small molecule compound
1-ethyl-6-fluoro-7-{4-[(4-fluorophenyl)carbonyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK009087
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccc(cc1)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 C23H21F2N3O4 MW 441.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F2N3O4/c1-2-26-13-17(23(31)32)21(29)16-11-18(25)20(12-19(16)26)27-7-9-28(10-8-27)22(30)14-3-5-15(24)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)InChIKey
YVHWKOFDWDLRCM-UHFFFAOYSA-NSynonyms
1ETHYL6FLUORO7(4((4FLUOROPHENYL)CARBONYL)PIPERAZIN1YL)4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
1ETHYL6FLUORO7(4(4FLUOROBENZOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)F)C(=O)O
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccc(cc1)F)c(c2)F
InChI=1SC23H21F2N3O4c12261317(23(31)32)21(29)161118(25)20(1219(16)26)277928(10827)22(30)143515(24)6414h361113H2710H21H3(H3132)
MFCD08049321
STK009087
ZINC000002479098
ZINC2479098
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