Vitas-M small molecule compound
1-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(naphthalen-2-yloxy)ethanone
Catalog ID
STL286782
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)COc1ccc2c(c1)cccc2
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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 C32H28N2O2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O2/c35-30(22-36-28-19-18-24-12-7-8-15-26(24)21-28)34-32(25-13-5-2-6-14-25)29-17-9-16-27(31(29)33-34)20-23-10-3-1-4-11-23/h1-8,10-15,18-21,29,32H,9,16-17,22H2/b27-20+InChIKey
WQZBBAVVNYGCSQ-NHFJDJAPSA-NSynonyms
1((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2(naphthalen2yloxy)ethanone
1((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2NAPHTHALEN2YLOXYETHANONE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6
InChI=1SC32H28N2O2c3530(22362819182412781526(24)2128)3432(25135261425)291791627(31(29)3334)2023103141123h18101518212932H9161722H2b2720+
MFCD02699452
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)COc1ccc2c(c1)cccc2
ZINC000015905898
ZINC000015905901
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