Vitas-M small molecule compound
2-(2,4-dichlorophenoxy)-1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STL286820
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)COc1ccc(cc1Cl)Cl
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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 C32H32Cl2N2O4 MW 579.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32Cl2N2O4/c1-3-38-25-13-8-21(9-14-25)18-23-6-5-7-27-31(23)35-36(32(27)22-10-15-26(16-11-22)39-4-2)30(37)20-40-29-17-12-24(33)19-28(29)34/h8-19,27,32H,3-7,20H2,1-2H3/b23-18+InChIKey
GADYDHZEABTQCH-PTGBLXJZSA-NSynonyms
2(24dichlorophenoxy)1((7E)3(4ethoxyphenyl)7((4ethoxyphenyl)methylidene)3a456tetrahydro3Hindazol2yl)ethanone
2(24dichlorophenoxy)1((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)ethanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)COC5=C(C=C(C=C5)Cl)Cl
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)COc1ccc(cc1Cl)Cl
InChI=1SC32H32Cl2N2O4c13382513821(91425)18236572731(23)3536(32(27)22101526(161122)3942)30(37)204029171224(33)1928(29)34h8192732H3720H212H3b2318+
MFCD03489639
ZINC000097971268
ZINC000097971271
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