Vitas-M small molecule compound
[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
Catalog ID
STL286789
SMILES COc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OC)/C2=NN1C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C33H34N4O6 MW 582.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O6/c1-41-26-11-6-22(7-12-26)20-24-4-3-5-28-31(24)34-36(32(28)23-8-13-27(42-2)14-9-23)33(38)25-10-15-29(30(21-25)37(39)40)35-16-18-43-19-17-35/h6-15,20-21,28,32H,3-5,16-19H2,1-2H3/b24-20+InChIKey
PNLLOSCXBMKJBK-HIXSDJFHSA-NSynonyms
((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YL3NITROPHENYL)METHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4yl)3nitrophenyl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=CC(=C(C=C5)N6CCOCC6)(N+)(=O)(O)
COc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OC)C2=NN1C(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
InChI=1SC33H34N4O6c1412611622(71226)20244352831(24)3436(32(28)2381327(422)14923)33(38)25101529(30(2125)37(39)40)35161843191735h61520212832H351619H212H3b2420+
MFCD02699480
ZINC000097971204
ZINC000097971207
Check stock
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Check stock on Vitas-MAvailable files
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