Vitas-M small molecule compound
2,5-dimethylbenzyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Catalog ID
STL018444
SMILES CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)OCc1cc(C)ccc1C
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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 C28H32FN3O3 MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32FN3O3/c1-4-30-9-11-31(12-10-30)26-15-25-22(14-24(26)29)27(33)23(16-32(25)21-7-8-21)28(34)35-17-20-13-18(2)5-6-19(20)3/h5-6,13-16,21H,4,7-12,17H2,1-3H3InChIKey
XHHRHIJAOHLKAV-UHFFFAOYSA-NSynonyms
(25dimethylphenyl)methyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxoquinoline3carboxylate
25dimethylbenzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxo14dihydroquinoline3carboxylate
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=C(C=CC(=C4)C)C)C5CC5)F
InChI=1SC28H32FN3O3c143091131(121030)26152522(1424(26)29)27(33)23(1632(25)217821)28(34)3517201318(2)5619(20)3h56131621H471217H213H3
MFCD18186945
ZINC000051364280
ZINC51364280
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