Vitas-M small molecule compound
[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-phenylquinolin-4-yl)methanone
Catalog ID
STK889199
SMILES O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[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(24-10-2-1-3-11-24)37-32-18-5-4-16-29(31)32)39-35(26-13-7-15-28(21-26)41(45)46)30-17-8-12-25(34(30)38-39)19-23-9-6-14-27(20-23)40(43)44/h1-7,9-11,13-16,18-22,30,35H,8,12,17H2/b25-19+InChIKey
HHMRITMBLAENFJ-NCELDCMTSA-NSynonyms
((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(2PHENYLQUINOLIN4YL)METHANONE
((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)(2phenylquinolin4yl)methanone
C1CC2C(N(N=C2C(=CC3=CC(=CC=C3)(N+)(=O)(O))C1)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC36H27N5O5c4236(312233(24102131124)373218541629(31)32)3935(261371528(2126)41(45)46)301781225(34(30)3839)1923961427(2023)40(43)44h17911131618223035H81217H2b2519+
MFCD02703010
O=C(c1cc(nc2c1cccc2)c1ccccc1)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O)
ZINC000102928455
ZINC000104000162
Check stock
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Check stock on Vitas-MAvailable files
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