Vitas-M small molecule compound
(2,4-dichlorophenyl)[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK070311
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccc(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 C29H26Cl2N2O3 MW 521.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26Cl2N2O3/c1-35-22-11-6-18(7-12-22)16-20-4-3-5-25-27(20)32-33(28(25)19-8-13-23(36-2)14-9-19)29(34)24-15-10-21(30)17-26(24)31/h6-17,25,28H,3-5H2,1-2H3/b20-16+InChIKey
IPELGIWRKSKCFX-CAPFRKAQSA-NSynonyms
(24DICHLOROPHENYL)((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(24dichlorophenyl)((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=C(C=C(C=C5)Cl)Cl
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccc(cc1Cl)Cl
InChI=1SC29H26Cl2N2O3c1352211618(71222)16204352527(20)3233(28(25)1981323(362)14919)29(34)24151021(30)1726(24)31h6172528H35H212H3b2016+
MFCD01627336
STK070311
ZINC000008444238
ZINC000008444244
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