Vitas-M small molecule compound
2-amino-4-(4-bromophenyl)-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758518
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CCC2)c1sc2c(c1C#N)CCCC2
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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 C25H21BrN4OS MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN4OS/c26-15-10-8-14(9-11-15)22-18(13-28)24(29)30(19-5-3-6-20(31)23(19)22)25-17(12-27)16-4-1-2-7-21(16)32-25/h8-11,22H,1-7,29H2InChIKey
VLHFAWVKMDIHJJ-UHFFFAOYSA-NSynonyms
2amino4(4bromophenyl)1(3cyano4567tetrahydro1benzothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4bromophenyl)1(3cyano4567tetrahydro1benzothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Br)C(=O)CCC4)C#N
InChI=1SC25H21BrN4OSc261510814(91115)2218(1328)24(29)30(1953620(31)23(19)22)2517(1227)16412721(16)3225h81122H1729H2
MFCD01414955
ZINC000002188772
ZINC000002188773
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