Vitas-M small molecule compound
2-amino-1-(3-chloro-4-methylphenyl)-5-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK956996
SMILES C=CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(c(c1)Cl)C)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 C26H24ClN3O2 MW 445.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2/c1-3-13-32-19-11-8-17(9-12-19)24-20(15-28)26(29)30(18-10-7-16(2)21(27)14-18)22-5-4-6-23(31)25(22)24/h3,7-12,14,24H,1,4-6,13,29H2,2H3InChIKey
NMORBEWOEKYMMO-UHFFFAOYSA-NSynonyms
2amino1(3chloro4methylphenyl)5oxo4(4(prop2en1yloxy)phenyl)145678hexahydroquinoline3carbonitrile
2amino1(3chloro4methylphenyl)5oxo4(4prop2enoxyphenyl)4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CCC3)Cl
InChI=1SC26H24ClN3O2c1313321911817(91219)2420(1528)26(29)30(1810716(2)21(27)1418)2254623(31)25(22)24h37121424H1461329H22H3
MFCD01918878
ZINC000002080827
ZINC000002080828
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