Vitas-M small molecule compound
1-(4-bromo-2-methylphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780718
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cscc1)C(=O)CCC2)c1ccc(cc1C)Br
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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 C25H20BrN3OS MW 490.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3OS/c1-16-13-18(26)7-8-20(16)29-21-5-4-6-22(30)24(21)23(17-9-12-31-15-17)19(14-27)25(29)28-10-2-3-11-28/h2-3,7-13,15,23H,4-6H2,1H3InChIKey
BPSBKYHMDFSDMF-UHFFFAOYSA-NSynonyms
1(4bromo2methylphenyl)5oxo2(1Hpyrrol1yl)4(thiophen3yl)145678hexahydroquinoline3carbonitrile
1(4bromo2methylphenyl)5oxo2pyrrol1yl4thiophen3yl4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CSC=C5)C(=O)CCC3
InChI=1SC25H20BrN3OSc1161318(26)7820(16)292154622(30)24(21)23(17912311517)19(1427)25(29)2810231128h237131523H46H21H3
MFCD06013551
ZINC000001432005
ZINC000001432006
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