Vitas-M small molecule compound
2-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-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
STK778465
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)C2=C(C1c1cn(nc1C)CC)C(=O)CCC2
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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 C21H25N7OS2 MW 455.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7OS2/c1-5-27-10-14(12(4)26-27)17-13(9-22)19(23)28(15-7-6-8-16(29)18(15)17)20-24-25-21(31-20)30-11(2)3/h10-11,17H,5-8,23H2,1-4H3InChIKey
FNAQBRBMNZAETQ-UHFFFAOYSA-NSynonyms
2amino4(1ethyl3methyl1Hpyrazol4yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(1ethyl3methylpyrazol4yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CCN1C=C(C(=N1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SC(C)C)N)C#N
InChI=1SC21H25N7OS2c15271014(12(4)2627)1713(922)19(23)28(1576816(29)18(15)17)20242521(3120)3011(2)3h101117H5823H214H3
MFCD05856673
ZINC000012413839
ZINC000012413841
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