Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methoxyphenyl)methanone
Catalog ID
STK878621
SMILES COc1ccc(cc1)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C\c1ccc(cc1)Cl
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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 C28H24Cl2N2O2 MW 491.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2N2O2/c1-34-24-15-9-20(10-16-24)28(33)32-27(19-7-13-23(30)14-8-19)25-4-2-3-21(26(25)31-32)17-18-5-11-22(29)12-6-18/h5-17,25,27H,2-4H2,1H3/b21-17+InChIKey
QFMUQNCPIUHLDZ-HEHNFIMWSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4METHOXYPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(4methoxyphenyl)methanone
COC1=CC=C(C=C1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Cl)C3=N2)C5=CC=C(C=C5)Cl
COc1ccc(cc1)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl
InChI=1SC28H24Cl2N2O2c1342415920(101624)28(33)3227(1971323(30)14819)2542321(26(25)3132)171851122(29)12618h5172527H24H21H3b2117+
MFCD01627303
ZINC000008444208
ZINC000008444216
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