Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781688
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cscc1)C(=O)CCC2)c1ccc(c(c1)Cl)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 C24H17ClFN3OS MW 449.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClFN3OS/c25-18-12-16(6-7-19(18)26)29-20-4-3-5-21(30)23(20)22(15-8-11-31-14-15)17(13-27)24(29)28-9-1-2-10-28/h1-2,6-12,14,22H,3-5H2InChIKey
YSJRBXOBDGASFX-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)5oxo2(1Hpyrrol1yl)4(thiophen3yl)145678hexahydroquinoline3carbonitrile
1(3chloro4fluorophenyl)5oxo2pyrrol1yl4thiophen3yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CSC=C5)C(=O)C1
InChI=1SC24H17ClFN3OSc25181216(6719(18)26)292043521(30)23(20)22(15811311415)17(1327)24(29)289121028h126121422H35H2
MFCD06015507
ZINC000012360541
ZINC000012360542
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