Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL433525
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CC(C2)(C)C)c1cccnc1Cl
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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 C21H18BrClN4OS MW 489.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN4OS/c1-21(2)8-13-18(14(28)9-21)17(15-5-6-16(22)29-15)11(10-24)20(25)27(13)12-4-3-7-26-19(12)23/h3-7,17H,8-9,25H2,1-2H3InChIKey
ZLYJSETVJMGPQI-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)1(2chloropyridin3yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(5BROMOTHIOPHEN2YL)1(2CHLOROPYRIDIN3YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C
InChI=1SC21H18BrClN4OSc121(2)81318(14(28)921)17(155616(22)2915)11(1024)20(25)27(13)124372619(12)23h3717H8925H212H3
MFCD03873032
ZINC000003645058
ZINC000003645059
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