Vitas-M small molecule compound
ethyl 2-[(7Z)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK993727
SMILES CCOC(=O)c1sc(nc1C)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 C27H25F2N3O2S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F2N3O2S/c1-3-34-26(33)25-16(2)30-27(35-25)32-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)31-32)15-17-7-11-20(28)12-8-17/h7-15,22,24H,3-6H2,1-2H3/b19-15-InChIKey
XWRPAWLTYVMIQM-CYVLTUHYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F)C
CCOC(=O)c1sc(nc1C)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F
ethyl2((7Z)3(4fluorophenyl)7((4fluorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)4methyl13thiazole5carboxylate
ethyl2((7Z)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)4methyl13thiazole5carboxylate
InChI=1SC27H25F2N3O2Sc133426(33)2516(2)3027(3525)3224(1891321(29)141018)2264519(23(22)3132)151771120(28)12817h7152224H36H212H3b1915
MFCD18184993
ZINC000034890339
ZINC000051330440
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