Vitas-M small molecule compound

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

Catalog ID
STL343996
SMILES CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c1cc(N1CCN(CC1)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 C25H27FN4O4 MW 466.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O4/c1-3-29-14-18(25(32)27-13-16-4-5-22-23(10-16)34-15-33-22)24(31)17-11-19(26)21(12-20(17)29)30-8-6-28(2)7-9-30/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3,(H,27,32)
InChIKey
APTPKWBRUGHNJB-UHFFFAOYSA-N
Synonyms
384803-97-8
1ETHYL6FLUORO4KETO7(4METHYLPIPERAZINO)NPIPERONYLQUINOLINE3CARBOXAMIDE
384803978
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC25H27FN4O4c13291418(25(32)271316452223(1016)34153322)24(31)171119(26)21(1220(17)29)308628(2)7930h45101214H3691315H212H3(H2732)
MFCD01854266
N(13BENZODIOXOL5YLMETHYL)1ETHYL6FLUORANYL7(4METHYLPIPERAZIN1YL)4OXIDANYLIDENEQUINOLINE3CARBOXAMIDE
N(13BENZODIOXOL5YLMETHYL)1ETHYL6FLUORO7(4METHYL1PIPERAZINYL)4OXO3QUINOLINECARBOXAMIDE
N(13benzodioxol5ylmethyl)1ethyl6fluoro7(4methylpiperazin1yl)4oxo14dihydroquinoline3carboxamide
N(13BENZODIOXOL5YLMETHYL)1ETHYL6FLUORO7(4METHYLPIPERAZIN1YL)4OXOQUINOLINE3CARBOXAMIDE
N(benzo(d)(13)dioxol5ylmethyl)1ethyl6fluoro7(4methylpiperazin1yl)4oxo14dihydroquinoline3carboxamide
ZINC000002420461
ZINC2420461

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Available files

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