Vitas-M small molecule compound
2-chloro-1-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK993155
SMILES ClCC(=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 C22H19ClF2N2O MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClF2N2O/c23-13-20(28)27-22(15-6-10-18(25)11-7-15)19-3-1-2-16(21(19)26-27)12-14-4-8-17(24)9-5-14/h4-12,19,22H,1-3,13H2/b16-12+InChIKey
JPYQTIYPHKOIPB-FOWTUZBSSA-NSynonyms
380196-78-12CHLORO1((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
2chloro1((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)ethanone
380196781
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)F)C1)C(=O)CCl)C4=CC=C(C=C4)F
ClCC(=O)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F
InChI=1SC22H19ClF2N2Oc231320(28)2722(1561018(25)11715)1931216(21(19)2627)12144817(24)9514h4121922H1313H2b1612+
MFCD01627396
ZINC000012564845
ZINC000012564853
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