Vitas-M small molecule compound
[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-chlorophenyl)methanone
Catalog ID
STK889154
SMILES Clc1ccc(cc1)C(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1
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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 C27H23ClN2O MW 426.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O/c28-23-16-14-21(15-17-23)27(31)30-26(20-10-5-2-6-11-20)24-13-7-12-22(25(24)29-30)18-19-8-3-1-4-9-19/h1-6,8-11,14-18,24,26H,7,12-13H2/b22-18+InChIKey
WBKNHCQLPMRUBW-RELWKKBWSA-NSynonyms
((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(4chlorophenyl)methanone
((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)(4CHLOROPHENYL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
Clc1ccc(cc1)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC27H23ClN2Oc2823161421(151723)27(31)3026(20105261120)241371222(25(24)2930)18198314919h1681114182426H71213H2b2218+
MFCD01416497
ZINC000008431666
ZINC000008431671
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