Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754375
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CCC2)c1ccc(cc1)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 C20H16BrN3OS MW 426.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3OS/c21-12-6-8-13(9-7-12)24-15-3-1-4-16(25)19(15)18(14(11-22)20(24)23)17-5-2-10-26-17/h2,5-10,18H,1,3-4,23H2InChIKey
RUXJZDXAYJDAKT-UHFFFAOYSA-NSynonyms
2amino1(4bromophenyl)5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2amino1(4bromophenyl)5oxo4thiophen2yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=CS4)C(=O)C1
InChI=1SC20H16BrN3OSc21126813(9712)241531416(25)19(15)18(14(1122)20(24)23)1752102617h251018H13423H2
MFCD00825632
ZINC000001056981
ZINC000001056983
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