Vitas-M small molecule compound
2-amino-4-(1-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
STK778693
SMILES N#CC1=C(N)N(C2=C(C1c1cnn(c1)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 C19H21N7OS2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7OS2/c1-10(2)28-19-24-23-18(29-19)26-13-5-4-6-14(27)16(13)15(12(7-20)17(26)21)11-8-22-25(3)9-11/h8-10,15H,4-6,21H2,1-3H3InChIKey
DFLHWBFPSQPSBK-UHFFFAOYSA-NSynonyms
2amino4(1methyl1Hpyrazol4yl)5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(1methylpyrazol4yl)5oxo1(5propan2ylsulfanyl134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CN(N=C4)C)C(=O)CCC3
InChI=1SC19H21N7OS2c110(2)2819242318(2919)261354614(27)16(13)15(12(720)17(26)21)1182225(3)911h81015H4621H213H3
MFCD05856991
ZINC000012401701
ZINC000012401702
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