Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761033
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1C
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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 C24H21N3O3 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3/c1-14-5-2-3-6-17(14)27-18-7-4-8-19(28)23(18)22(16(12-25)24(27)26)15-9-10-20-21(11-15)30-13-29-20/h2-3,5-6,9-11,22H,4,7-8,13,26H2,1H3InChIKey
XCMNCYXUAHONNL-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(2methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(2methylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3
InChI=1SC24H21N3O3c114523617(14)271874819(28)23(18)22(16(1225)24(27)26)159102021(1115)30132920h235691122H4781326H21H3
MFCD01820416
ZINC000000716441
ZINC000000716443
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