Vitas-M small molecule compound
2-amino-4-{4-[(2-cyanobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL416043
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)C1C(=C(N)N(C2=C1C(=O)CCC2)Nc1ccccc1)C#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 C32H29N5O3 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O3/c1-2-39-29-17-21(15-16-28(29)40-20-23-10-7-6-9-22(23)18-33)30-25(19-34)32(35)37(36-24-11-4-3-5-12-24)26-13-8-14-27(38)31(26)30/h3-7,9-12,15-17,30,36H,2,8,13-14,20,35H2,1H3InChIKey
VCXPOFLOXGAFCK-UHFFFAOYSA-NSynonyms
2amino1anilino4(4((2cyanophenyl)methoxy)3ethoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
2amino4(4((2cyanobenzyl)oxy)3ethoxyphenyl)5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
CCOC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC4=CC=CC=C4)N)C#N)OCC5=CC=CC=C5C#N
InChI=1SC32H29N5O3c1239291721(151628(29)4020231076922(23)1833)3025(1934)32(35)37(3624114351224)261381427(38)31(26)30h3791215173036H2813142035H21H3
MFCD30706928
ZINC000220957260
ZINC000220957314
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