Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755395
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)Br)C#N
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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 C23H20BrN3OS MW 466.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3OS/c1-29-17-11-5-14(6-12-17)21-18(13-25)23(26)27(16-9-7-15(24)8-10-16)19-3-2-4-20(28)22(19)21/h5-12,21H,2-4,26H2,1H3InChIKey
PTMAVHALESPMDX-UHFFFAOYSA-NSynonyms
339335-27-22amino1(4bromophenyl)4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromophenyl)4(4methylsulfanylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
339335272
CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N
InChI=1SC23H20BrN3OSc1291711514(61217)2118(1325)23(26)27(169715(24)81016)1932420(28)22(19)21h51221H2426H21H3
MFCD00827935
ZINC000000705620
ZINC000000705621
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Check stock on Vitas-MAvailable files
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