Vitas-M small molecule compound
[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-phenylquinolin-4-yl)methanone
Catalog ID
STK889198
SMILES O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-]
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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 C36H27N5O5 MW 609.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N5O5/c42-36(31-22-33(24-7-2-1-3-8-24)37-32-12-5-4-10-29(31)32)39-35(25-15-19-28(20-16-25)41(45)46)30-11-6-9-26(34(30)38-39)21-23-13-17-27(18-14-23)40(43)44/h1-5,7-8,10,12-22,30,35H,6,9,11H2/b26-21+InChIKey
FIDAJOKZORRRTG-YYADALCUSA-NSynonyms
((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(2PHENYLQUINOLIN4YL)METHANONE
((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)(2phenylquinolin4yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC36H27N5O5c4236(312233(247213824)373212541029(31)32)3935(25151928(201625)41(45)46)30116926(34(30)3839)2123131727(181423)40(43)44h15781012223035H6911H2b2621+
MFCD02703006
O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000102928442
ZINC000104195136
Check stock
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Check stock on Vitas-MAvailable files
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