Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK761697
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)C)C2=C(C1c1ccc3c(c1)OCO3)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 C24H20ClN3O3 MW 433.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O3/c1-13-5-7-15(10-17(13)25)28-18-3-2-4-19(29)23(18)22(16(11-26)24(28)27)14-6-8-20-21(9-14)31-12-30-20/h5-10,22H,2-4,12,27H2,1H3InChIKey
LOUUKJCFOQISTG-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(3chloro4methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(3chloro4methylphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3)Cl
InChI=1SC24H20ClN3O3c1135715(1017(13)25)281832419(29)23(18)22(16(1126)24(28)27)14682021(914)31123020h51022H241227H21H3
MFCD01925867
ZINC000000707172
ZINC000000707173
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