Vitas-M small molecule compound
2-amino-4-{4-methoxy-3-[(naphthalen-2-yloxy)methyl]phenyl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173122
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc3c(c1)cccc3)OC)C(=O)CCC2)c1ccccc1C(F)(F)F
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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 C35H28F3N3O3 MW 595.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28F3N3O3/c1-43-31-16-14-23(17-24(31)20-44-25-15-13-21-7-2-3-8-22(21)18-25)32-26(19-39)34(40)41(29-11-6-12-30(42)33(29)32)28-10-5-4-9-27(28)35(36,37)38/h2-5,7-10,13-18,32H,6,11-12,20,40H2,1H3InChIKey
DNVDTVXSXIVULD-UHFFFAOYSA-NSynonyms
438529-84-12amino4(4methoxy3((naphthalen2yloxy)methyl)phenyl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4methoxy3(naphthalen2yloxymethyl)phenyl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
438529841
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4C(F)(F)F)N)C#N)COC5=CC6=CC=CC=C6C=C5
InChI=1SC35H28F3N3O3c14331161423(1724(31)204425151321723822(21)1825)3226(1939)34(40)41(291161230(42)33(29)32)281054927(28)35(3637)38h25710131832H611122040H21H3
MFCD02174832
ZINC000002754529
ZINC000002754530
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