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](3-nitrophenyl)methanone
Catalog ID
STK889298
SMILES CC1C/C(=C\c2ccc(cc2)Cl)/C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)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 C28H23Cl2N3O3 MW 520.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23Cl2N3O3/c1-17-13-21(15-18-5-9-22(29)10-6-18)26-25(14-17)27(19-7-11-23(30)12-8-19)32(31-26)28(34)20-3-2-4-24(16-20)33(35)36/h2-12,15-17,25,27H,13-14H2,1H3/b21-15+InChIKey
GOKJLWIMMWFKNK-RCCKNPSSSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)5METHYL3A456TETRAHYDRO3HINDAZOL2YL)(3NITROPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)5methyl33a4567hexahydro2Hindazol2yl)(3nitrophenyl)methanone
CC1CC(=Cc2ccc(cc2)Cl)C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)c1cccc(c1)(N+)(=O)(O)
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)Cl
InChI=1SC28H23Cl2N3O3c1171321(15185922(29)10618)2625(1417)27(1971123(30)12819)32(3126)28(34)2032424(1620)33(35)36h21215172527H1314H21H3b2115+
MFCD02704778
ZINC000033674325
ZINC000245309979
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