Vitas-M small molecule compound
[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](phenyl)methanone
Catalog ID
STK889059
SMILES Fc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)F)C(=O)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 C27H22F2N2O MW 428.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F2N2O/c28-22-13-9-18(10-14-22)17-21-7-4-8-24-25(21)30-31(27(32)20-5-2-1-3-6-20)26(24)19-11-15-23(29)16-12-19/h1-3,5-6,9-17,24,26H,4,7-8H2/b21-17+InChIKey
JBRNEVFTJPFTDM-HEHNFIMWSA-NSynonyms
((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PHENYLMETHANONE
((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)(phenyl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)F
Fc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)F)C(=O)c1ccccc1
InChI=1SC27H22F2N2Oc282213918(101422)17217482425(21)3031(27(32)205213620)26(24)19111523(29)161219h13569172426H478H2b2117+
MFCD01627373
ZINC000038204416
ZINC000038204419
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