Vitas-M small molecule compound
1-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]prop-2-en-1-one
Catalog ID
STK015975
SMILES C=CC(=O)N1N=C2C(C1c1ccc(cc1)F)CCC/C/2=C\c1ccc(cc1)F
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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 C23H20F2N2O MW 378.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F2N2O/c1-2-21(28)27-23(16-8-12-19(25)13-9-16)20-5-3-4-17(22(20)26-27)14-15-6-10-18(24)11-7-15/h2,6-14,20,23H,1,3-5H2/b17-14+InChIKey
KMLJCANKPGNTHO-SAPNQHFASA-NSynonyms
1((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PROP2EN1ONE
1((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)prop2en1one
C=CC(=O)N1C(C2CCCC(=CC3=CC=C(C=C3)F)C2=N1)C4=CC=C(C=C4)F
C=CC(=O)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F
InChI=1SC23H20F2N2Oc1221(28)2723(1681219(25)13916)2053417(22(20)2627)141561018(24)11715h26142023H135H2b1714+
MFCD01627398
STK015975
ZINC000004575740
ZINC000004575746
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