Vitas-M small molecule compound
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK331170
SMILES C=CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1C)Cl)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 C28H28ClN3O2 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O2/c1-5-13-34-19-11-9-18(10-12-19)25-20(16-30)27(31)32(22-8-6-7-21(29)17(22)2)23-14-28(3,4)15-24(33)26(23)25/h5-12,25H,1,13-15,31H2,2-4H3InChIKey
LNYRDQFRKHYJCX-UHFFFAOYSA-NSynonyms
353469-66-62amino1(3chloro2methylphenyl)77dimethyl5oxo4(4(prop2en1yloxy)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLORO2METHYLPHENYL)77DIMETHYL5OXO4(4PROP2ENOXYPHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
353469666
CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CC(C3)(C)C
InChI=1SC28H28ClN3O2c1513341911918(101219)2520(1630)27(31)32(2286721(29)17(22)2)231428(34)1524(33)26(23)25h51225H1131531H224H3
MFCD01417177
ZINC000002080813
ZINC000002080814
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