Vitas-M small molecule compound

tert-butyl 4-[1-ethyl-6-fluoro-3-(hexylcarbamoyl)-4-oxo-1,4-dihydroquinolin-7-yl]piperazine-1-carboxylate

Catalog ID
STK617305
SMILES CCCCCCNC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C(=O)OC(C)(C)C)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 C27H39FN4O4 MW 502.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39FN4O4/c1-6-8-9-10-11-29-25(34)20-18-30(7-2)22-17-23(21(28)16-19(22)24(20)33)31-12-14-32(15-13-31)26(35)36-27(3,4)5/h16-18H,6-15H2,1-5H3,(H,29,34)
InChIKey
SHEFJMWMZDISEY-UHFFFAOYSA-N
Synonyms
919728-59-9
919728599
CCCCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OC(C)(C)C)CC
InChI=1SC27H39FN4O4c168910112925(34)201830(72)221723(21(28)1619(22)24(20)33)31121432(151331)26(35)3627(34)5h1618H615H215H3(H2934)
MFCD08743995
tertbutyl4(1ethyl6fluoro3(hexylcarbamoyl)4oxo14dihydroquinolin7yl)piperazine1carboxylate
tertbutyl4(1ethyl6fluoro3(hexylcarbamoyl)4oxoquinolin7yl)piperazine1carboxylate
ZINC000009060800
ZINC09060800
ZINC9060800

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.