Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK760618
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)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 C23H18ClN3O3 MW 419.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O3/c24-14-3-1-4-15(10-14)27-17-5-2-6-18(28)22(17)21(16(11-25)23(27)26)13-7-8-19-20(9-13)30-12-29-19/h1,3-4,7-10,21H,2,5-6,12,26H2InChIKey
RQDMUDAABHUWJL-UHFFFAOYSA-NSynonyms
312536-73-52amino4(13benzodioxol5yl)1(3chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(3chlorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
312536735
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC23H18ClN3O3c241431415(1014)271752618(28)22(17)21(16(1125)23(27)26)13781920(913)30122919h13471021H2561226H2
MFCD01822036
ZINC000000707168
ZINC000000707169
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