Vitas-M small molecule compound
1-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(2-fluorophenoxy)ethanone
Catalog ID
STK889209
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)COc1ccccc1F
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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 C28H25FN2O2 MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN2O2/c29-24-16-7-8-17-25(24)33-19-26(32)31-28(21-12-5-2-6-13-21)23-15-9-14-22(27(23)30-31)18-20-10-3-1-4-11-20/h1-8,10-13,16-18,23,28H,9,14-15,19H2/b22-18+InChIKey
UUENVKHVYBAYBA-RELWKKBWSA-NSynonyms
1((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2(2fluorophenoxy)ethanone
1((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2(2FLUOROPHENOXY)ETHANONE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC4=CC=CC=C4F)C5=CC=CC=C5
InChI=1SC28H25FN2O2c292416781725(24)331926(32)3128(21125261321)231591422(27(23)3031)1820103141120h18101316182328H9141519H2b2218+
MFCD02703810
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)COc1ccccc1F
ZINC000015906565
ZINC000015906568
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