Vitas-M small molecule compound

7-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide

Catalog ID
STK641732
SMILES CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c1cc(N1CCN(CC1)C(=O)C)c(c2)F

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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 C25H25FN4O5 MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O5/c1-3-28-13-18(25(33)27-16-4-5-22-23(10-16)35-14-34-22)24(32)17-11-19(26)21(12-20(17)28)30-8-6-29(7-9-30)15(2)31/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,27,33)
InChIKey
OTHVVWCVCMDZBL-UHFFFAOYSA-N
Synonyms
849011-17-2
7(4acetylpiperazin1yl)N(13benzodioxol5yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxamide
7(4ACETYLPIPERAZIN1YL)N(13BENZODIOXOL5YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXAMIDE
7(4acetylpiperazin1yl)N(benzo(d)(13)dioxol5yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxamide
849011172
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC25H25FN4O5c13281318(25(33)2716452223(1016)35143422)24(32)171119(26)21(1220(17)28)308629(7930)15(2)31h451013H36914H212H3(H2733)
MFCD07327802
ZINC000009285615
ZINC09285615
ZINC9285615

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Available files

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