Vitas-M small molecule compound
3-cyanobenzyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Catalog ID
STL018449
SMILES CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)OCc1cccc(c1)C#N
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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 C27H27FN4O3 MW 474.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O3/c1-2-30-8-10-31(11-9-30)25-14-24-21(13-23(25)28)26(33)22(16-32(24)20-6-7-20)27(34)35-17-19-5-3-4-18(12-19)15-29/h3-5,12-14,16,20H,2,6-11,17H2,1H3InChIKey
KVZTWLLAWJKJFJ-UHFFFAOYSA-NSynonyms
(3cyanophenyl)methyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxoquinoline3carboxylate
3cyanobenzyl1cyclopropyl7(4ethylpiperazin1yl)6fluoro4oxo14dihydroquinoline3carboxylate
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC=CC(=C4)C#N)C5CC5)F
InChI=1SC27H27FN4O3c123081031(11930)25142421(1323(25)28)26(33)22(1632(24)206720)27(34)35171953418(1219)1529h3512141620H261117H21H3
MFCD18186950
ZINC000051364285
ZINC51364285
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