Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][3-(difluoromethoxy)phenyl]methanone
Catalog ID
STK889230
SMILES FC(Oc1cccc(c1)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C\c1ccc(cc1)Cl)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 C28H22Cl2F2N2O2 MW 527.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2F2N2O2/c29-21-11-7-17(8-12-21)15-19-3-2-6-24-25(19)33-34(26(24)18-9-13-22(30)14-10-18)27(35)20-4-1-5-23(16-20)36-28(31)32/h1,4-5,7-16,24,26,28H,2-3,6H2/b19-15+InChIKey
KEDDQDBCTLNBNG-XDJHFCHBSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(3(DIFLUOROMETHOXY)PHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(3(difluoromethoxy)phenyl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=CC=C4)OC(F)F)C5=CC=C(C=C5)Cl
FC(Oc1cccc(c1)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl)F
InChI=1SC28H22Cl2F2N2O2c292111717(81221)15193262425(19)3334(26(24)1891322(30)141018)27(35)2041523(1620)3628(31)32h145716242628H236H2b1915+
MFCD03489623
ZINC000097965215
ZINC000097965218
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