Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2,4-dinitrophenyl)methanone
Catalog ID
STK889217
SMILES CC1C/C(=C\c2ccc(cc2)Cl)/C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)c1ccc(cc1[N+](=O)[O-])[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 C28H22Cl2N4O5 MW 565.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2N4O5/c1-16-12-19(14-17-2-6-20(29)7-3-17)26-24(13-16)27(18-4-8-21(30)9-5-18)32(31-26)28(35)23-11-10-22(33(36)37)15-25(23)34(38)39/h2-11,14-16,24,27H,12-13H2,1H3/b19-14+InChIKey
NBKGSHHTNLCTFW-XMHGGMMESA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)5METHYL3A456TETRAHYDRO3HINDAZOL2YL)(24DINITROPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)5methyl33a4567hexahydro2Hindazol2yl)(24dinitrophenyl)methanone
CC1CC(=Cc2ccc(cc2)Cl)C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))C5=CC=C(C=C5)Cl
InChI=1SC28H22Cl2N4O5c1161219(14172620(29)7317)2624(1316)27(184821(30)9518)32(3126)28(35)23111022(33(36)37)1525(23)34(38)39h21114162427H1213H21H3b1914+
MFCD02705345
ZINC000102928536
ZINC000245311312
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.