Vitas-M small molecule compound
[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-bromophenyl)methanone
Catalog ID
STK889176
SMILES Brc1cccc(c1)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 C27H23BrN2O MW 471.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O/c28-23-15-7-14-22(18-23)27(31)30-26(20-11-5-2-6-12-20)24-16-8-13-21(25(24)29-30)17-19-9-3-1-4-10-19/h1-7,9-12,14-15,17-18,24,26H,8,13,16H2/b21-17+InChIKey
QSLMIHHIUOQVJE-HEHNFIMWSA-NSynonyms
((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(3bromophenyl)methanone
((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)(3BROMOPHENYL)METHANONE
Brc1cccc(c1)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5
InChI=1SC27H23BrN2Oc28231571422(1823)27(31)3026(20115261220)241681321(25(24)2930)171993141019h17912141517182426H81316H2b2117+
MFCD01416453
ZINC000008431573
ZINC000008431579
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