Vitas-M small molecule compound
2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755552
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CCC2)c1cccc(c1C)Cl
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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 C21H17BrClN3OS MW 474.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrClN3OS/c1-11-14(23)4-2-5-15(11)26-16-6-3-7-17(27)20(16)19(13(9-24)21(26)25)18-8-12(22)10-28-18/h2,4-5,8,10,19H,3,6-7,25H2,1H3InChIKey
OKDUDEQFLMUBGP-UHFFFAOYSA-NSynonyms
2amino4(4bromothiophen2yl)1(3chloro2methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4bromothiophen2yl)1(3chloro2methylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CCC3
InChI=1SC21H17BrClN3OSc11114(23)42515(11)261663717(27)20(16)19(13(924)21(26)25)18812(22)102818h24581019H36725H21H3
MFCD00828403
ZINC000000713564
ZINC000000713566
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