Vitas-M small molecule compound
benzyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Catalog ID
STL018440
SMILES CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)OCc1ccccc1
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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 C26H28FN3O3 MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FN3O3/c1-2-28-10-12-29(13-11-28)24-15-23-20(14-22(24)27)25(31)21(16-30(23)19-8-9-19)26(32)33-17-18-6-4-3-5-7-18/h3-7,14-16,19H,2,8-13,17H2,1H3InChIKey
XADGEOBHMCRTKW-UHFFFAOYSA-NSynonyms
benzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxo14dihydroquinoline3carboxylate
benzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxoquinoline3carboxylate
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC=CC=C4)C5CC5)F
InChI=1SC26H28FN3O3c1228101229(131128)24152320(1422(24)27)25(31)21(1630(23)198919)26(32)3317186435718h37141619H281317H21H3
MFCD18186941
ZINC000051364276
ZINC51364276
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