Vitas-M small molecule compound
2-amino-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778691
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)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 C20H20N6OS2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6OS2/c1-11(2)28-20-25-24-19(29-20)26-14-6-3-7-15(27)17(14)16(13(9-21)18(26)22)12-5-4-8-23-10-12/h4-5,8,10-11,16H,3,6-7,22H2,1-2H3InChIKey
XWSIRSPWINPNLB-UHFFFAOYSA-NSynonyms
2amino5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4pyridin3yl4678tetrahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CN=CC=C4)C(=O)CCC3
InChI=1SC20H20N6OS2c111(2)2820252419(2920)261463715(27)17(14)16(13(921)18(26)22)12548231012h458101116H36722H212H3
MFCD05856987
ZINC000012401689
ZINC000012401690
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