Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-phenylprop-2-en-1-one
Catalog ID
STK043163
SMILES Fc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)F)C(=O)/C=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 C29H24F2N2O MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24F2N2O/c30-24-14-9-21(10-15-24)19-23-7-4-8-26-28(23)32-33(29(26)22-12-16-25(31)17-13-22)27(34)18-11-20-5-2-1-3-6-20/h1-3,5-6,9-19,26,29H,4,7-8H2/b18-11+,23-19+InChIKey
CJQWIBRTKLFZRF-ZCQWOIMESA-NSynonyms
(2E)1((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)3phenylprop2en1one
(E)1((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)3PHENYLPROP2EN1ONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)C=CC4=CC=CC=C4)C5=CC=C(C=C5)F
Fc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)F)C(=O)C=Cc1ccccc1
InChI=1SC29H24F2N2Oc302414921(101524)19237482628(23)3233(29(26)22121625(31)171322)27(34)1811205213620h13569192629H478H2b1811+2319+
MFCD01627399
STK043163
ZINC000009425607
ZINC000013942673
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