Vitas-M small molecule compound
7-(azepan-1-yl)-1-benzyl-6-fluoro-3-[(3-methylphenyl)sulfonyl]quinolin-4(1H)-one
Catalog ID
STL145517
SMILES Cc1cccc(c1)S(=O)(=O)c1cn(Cc2ccccc2)c2c(c1=O)cc(c(c2)N1CCCCCC1)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 C29H29FN2O3S MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29FN2O3S/c1-21-10-9-13-23(16-21)36(34,35)28-20-32(19-22-11-5-4-6-12-22)26-18-27(25(30)17-24(26)29(28)33)31-14-7-2-3-8-15-31/h4-6,9-13,16-18,20H,2-3,7-8,14-15,19H2,1H3InChIKey
RKNAKSGXZPFTNR-UHFFFAOYSA-NSynonyms
892786-87-77(azepan1yl)1benzyl6fluoro3((3methylphenyl)sulfonyl)quinolin4(1H)one
7(azepan1yl)1benzyl6fluoro3(3methylphenyl)sulfonylquinolin4one
7(AZEPAN1YL)1BENZYL6FLUORO3(MTOLYLSULFONYL)QUINOLIN4(1H)ONE
892786877
CC1=CC(=CC=C1)S(=O)(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCCCCC4)CC5=CC=CC=C5
InChI=1SC29H29FN2O3Sc1211091323(1621)36(3435)282032(1922115461222)261827(25(30)1724(26)29(28)33)311472381531h46913161820H2378141519H21H3
MFCD14902957
ZINC000009435615
ZINC9435615
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