Vitas-M small molecule compound

7-{4-[N-(tert-butoxycarbonyl)glycyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK614399
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)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 C23H29FN4O6 MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29FN4O6/c1-5-26-13-15(21(31)32)20(30)14-10-16(24)18(11-17(14)26)27-6-8-28(9-7-27)19(29)12-25-22(33)34-23(2,3)4/h10-11,13H,5-9,12H2,1-4H3,(H,25,33)(H,31,32)
InChIKey
NHWQCEXDKDFVBM-UHFFFAOYSA-N
Synonyms
919725-11-4
1ethyl6fluoro7(4(2((2methylpropan2yl)oxycarbonylamino)acetyl)piperazin1yl)4oxoquinoline3carboxylicacid
7(4(((TERTBUTOXYCARBONYL)AMINO)ACETYL)1PIPERAZINYL)1ETHYL6FLUORO4OXO14DIHYDRO3QUINOLINECARBOXYLICACID
7(4(2((tertbutoxycarbonyl)amino)acetyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4(N(tertbutoxycarbonyl)glycyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
919725114
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CNC(=O)OC(C)(C)C)F)C(=O)O
InChI=1SC23H29FN4O6c15261315(21(31)32)20(30)141016(24)18(1117(14)26)276828(9727)19(29)122522(33)3423(23)4h101113H5912H214H3(H2533)(H3132)
MFCD08749169
ZINC000009344396
ZINC9344396

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Available files

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