Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-fluorophenyl)methanone
Catalog ID
STK889057
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)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 C31H31FN2O3 MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN2O3/c1-3-36-26-16-8-21(9-17-26)20-24-6-5-7-28-29(24)33-34(31(35)23-10-14-25(32)15-11-23)30(28)22-12-18-27(19-13-22)37-4-2/h8-20,28,30H,3-7H2,1-2H3/b24-20+InChIKey
MLKPANUBHKBZBM-HIXSDJFHSA-NSynonyms
((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4FLUOROPHENYL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4fluorophenyl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=C(C=C5)F
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccc(cc1)F
InChI=1SC31H31FN2O3c13362616821(91726)20246572829(24)3334(31(35)23101425(32)151123)30(28)22121827(191322)3742h8202830H37H212H3b2420+
MFCD01627355
ZINC000021487052
ZINC000021487055
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