Vitas-M small molecule compound
1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(2-fluorophenoxy)ethanone
Catalog ID
STK889210
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)COc1ccccc1F
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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 C32H33FN2O4 MW 528.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33FN2O4/c1-3-37-25-16-12-22(13-17-25)20-24-8-7-9-27-31(24)34-35(30(36)21-39-29-11-6-5-10-28(29)33)32(27)23-14-18-26(19-15-23)38-4-2/h5-6,10-20,27,32H,3-4,7-9,21H2,1-2H3/b24-20+InChIKey
DANJKGOKWJURAC-HIXSDJFHSA-NSynonyms
1((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2(2FLUOROPHENOXY)ETHANONE
1((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2(2fluorophenoxy)ethanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)COC5=CC=CC=C5F
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)COc1ccccc1F
InChI=1SC32H33FN2O4c133725161222(131725)20248792731(24)3435(30(36)21392911651028(29)33)32(27)23141826(191523)3842h5610202732H347921H212H3b2420+
MFCD02703747
ZINC000012492111
ZINC000012492133
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