Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754562
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1ccc(cc1)C
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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 C21H18BrN3OS MW 440.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3OS/c1-12-5-7-13(8-6-12)25-15-3-2-4-16(26)20(15)19(14(11-23)21(25)24)17-9-10-18(22)27-17/h5-10,19H,2-4,24H2,1H3InChIKey
VQRLXWQQEVZZFS-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)1(4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)1(4methylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CCC3
InChI=1SC21H18BrN3OSc1125713(8612)251532416(26)20(15)19(14(1123)21(25)24)1791018(22)2717h51019H2424H21H3
MFCD00826114
ZINC000000705429
ZINC000000705430
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