Vitas-M small molecule compound
2-amino-1-(2-cyanophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL391474
SMILES N#CC1=C(N)N(C2=C(C1c1cnn(c1C)C)C(=O)CCC2)c1ccccc1C#N
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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 C22H20N6O MW 384.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O/c1-13-16(12-26-27(13)2)20-15(11-24)22(25)28(17-7-4-3-6-14(17)10-23)18-8-5-9-19(29)21(18)20/h3-4,6-7,12,20H,5,8-9,25H2,1-2H3InChIKey
ZCFLXRQEYCOUSV-UHFFFAOYSA-NSynonyms
515828-99-62amino1(2cyanophenyl)4(15dimethyl1Hpyrazol4yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2cyanophenyl)4(15dimethylpyrazol4yl)5oxo4678tetrahydroquinoline3carbonitrile
515828996
CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C#N)N)C#N
InChI=1SC22H20N6Oc11316(122627(13)2)2015(1124)22(25)28(17743614(17)1023)1885919(29)21(18)20h34671220H58925H212H3
MFCD03758707
ZINC000000696076
ZINC000000696077
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