Vitas-M small molecule compound
4-ethenylbenzyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Catalog ID
STL018445
SMILES CCN1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)OCc1ccc(cc1)C=C)C1CC1
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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 C28H30FN3O3 MW 475.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O3/c1-3-19-5-7-20(8-6-19)18-35-28(34)23-17-32(21-9-10-21)25-16-26(24(29)15-22(25)27(23)33)31-13-11-30(4-2)12-14-31/h3,5-8,15-17,21H,1,4,9-14,18H2,2H3InChIKey
UKOCIYVYWCCNRE-UHFFFAOYSA-NSynonyms
(4ethenylphenyl)methyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxoquinoline3carboxylate
4ethenylbenzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxo14dihydroquinoline3carboxylate
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC=C(C=C4)C=C)C5CC5)F
InChI=1SC28H30FN3O3c13195720(8619)183528(34)231732(2191021)251626(24(29)1522(25)27(23)33)31131130(42)121431h358151721H1491418H22H3
MFCD18186946
ZINC000051364281
ZINC51364281
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