Vitas-M small molecule compound
2-amino-4-(5-methylthiophen-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
STK778512
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)C)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 C20H21N5OS3 MW 443.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5OS3/c1-10(2)27-20-24-23-19(29-20)25-13-5-4-6-14(26)17(13)16(12(9-21)18(25)22)15-8-7-11(3)28-15/h7-8,10,16H,4-6,22H2,1-3H3InChIKey
GOZYSXWWZITKIG-UHFFFAOYSA-NSynonyms
2amino4(5methylthiophen2yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(5methylthiophen2yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC(C)C)N)C#N
InChI=1SC20H21N5OS3c110(2)2720242319(2920)251354614(26)17(13)16(12(921)18(25)22)158711(3)2815h781016H4622H213H3
MFCD05856723
ZINC000012462533
ZINC000012462534
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