Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinolin-4-yl]benzoate
Catalog ID
STL415977
SMILES N#CC1=C(N)N(Nc2ccccc2)C2=C(C1c1ccc(cc1)C(=O)OC)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 C24H22N4O3 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3/c1-31-24(30)16-12-10-15(11-13-16)21-18(14-25)23(26)28(27-17-6-3-2-4-7-17)19-8-5-9-20(29)22(19)21/h2-4,6-7,10-13,21,27H,5,8-9,26H2,1H3InChIKey
UKBJBKIFCLLIAK-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC4=CC=CC=C4)N)C#N
InChI=1SC24H22N4O3c13124(30)16121015(111316)2118(1425)23(26)28(27176324717)1985920(29)22(19)21h246710132127H58926H21H3
methyl4(2amino1anilino3cyano5oxo4678tetrahydroquinolin4yl)benzoate
methyl4(2amino3cyano5oxo1(phenylamino)145678hexahydroquinolin4yl)benzoate
MFCD30706890
ZINC000220952284
ZINC000220952331
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