Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-phenylquinolin-4-yl)methanone
Catalog ID
STK889051
SMILES Clc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)Cl)/C2=NN1C(=O)c1cc(nc2c1cccc2)c1ccccc1
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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 C36H27Cl2N3O MW 588.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27Cl2N3O/c37-27-17-13-23(14-18-27)21-26-9-6-11-30-34(26)40-41(35(30)25-15-19-28(38)20-16-25)36(42)31-22-33(24-7-2-1-3-8-24)39-32-12-5-4-10-29(31)32/h1-5,7-8,10,12-22,30,35H,6,9,11H2/b26-21+InChIKey
NJEUNUUFVAZYAU-YYADALCUSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(2PHENYLQUINOLIN4YL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(2phenylquinolin4yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)Cl)C2=NN1C(=O)c1cc(nc2c1cccc2)c1ccccc1
InChI=1SC36H27Cl2N3Oc3727171323(141827)212696113034(26)4041(35(30)25151928(38)201625)36(42)312233(247213824)393212541029(31)32h15781012223035H6911H2b2621+
MFCD01627300
ZINC000096022497
ZINC000097965102
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