Vitas-M small molecule compound
2-methylbenzyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Catalog ID
STL018441
SMILES CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)OCc1ccccc1C
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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 C27H30FN3O3 MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30FN3O3/c1-3-29-10-12-30(13-11-29)25-15-24-21(14-23(25)28)26(32)22(16-31(24)20-8-9-20)27(33)34-17-19-7-5-4-6-18(19)2/h4-7,14-16,20H,3,8-13,17H2,1-2H3InChIKey
UVVKRXWVPBECAT-UHFFFAOYSA-NSynonyms
(2methylphenyl)methyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxoquinoline3carboxylate
2methylbenzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxo14dihydroquinoline3carboxylate
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC=CC=C4C)C5CC5)F
InChI=1SC27H30FN3O3c1329101230(131129)25152421(1423(25)28)26(32)22(1631(24)208920)27(33)341719754618(19)2h47141620H381317H212H3
MFCD18186942
ZINC000051364277
ZINC51364277
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