Vitas-M small molecule compound
2-amino-4-(5-bromothiophen-2-yl)-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778176
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CCC2)c1nnc(s1)SC(C)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 C19H18BrN5OS3 MW 508.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN5OS3/c1-9(2)27-19-24-23-18(29-19)25-11-4-3-5-12(26)16(11)15(10(8-21)17(25)22)13-6-7-14(20)28-13/h6-7,9,15H,3-5,22H2,1-2H3InChIKey
HBXICOWCHZBYAF-UHFFFAOYSA-NSynonyms
2amino4(5bromothiophen2yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(5bromothiophen2yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CCC3
InChI=1SC19H18BrN5OS3c19(2)2719242318(2919)251143512(26)16(11)15(10(821)17(25)22)136714(20)2813h67915H3522H212H3
MFCD05855884
ZINC000012401679
ZINC000012401680
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