Vitas-M small molecule compound
[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methoxyphenyl)methanone
Catalog ID
STK889048
SMILES COc1ccc(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 C28H26N2O2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O2/c1-32-24-17-15-22(16-18-24)28(31)30-27(21-11-6-3-7-12-21)25-14-8-13-23(26(25)29-30)19-20-9-4-2-5-10-20/h2-7,9-12,15-19,25,27H,8,13-14H2,1H3/b23-19+InChIKey
MAEVEGQVHKULCU-FCDQGJHFSA-NSynonyms
((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(4methoxyphenyl)methanone
((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)(4METHOXYPHENYL)METHANONE
COC1=CC=C(C=C1)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5
COc1ccc(cc1)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC28H26N2O2c13224171522(161824)28(31)3027(21116371221)251481323(26(25)2930)192094251020h2791215192527H81314H21H3b2319+
MFCD01627282
ZINC000005445021
ZINC000005445024
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