Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
Catalog ID
STL286790
SMILES CCOc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OCC)/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 C35H38N4O6 MW 610.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N4O6/c1-3-44-28-13-8-24(9-14-28)22-26-6-5-7-30-33(26)36-38(34(30)25-10-15-29(16-11-25)45-4-2)35(40)27-12-17-31(32(23-27)39(41)42)37-18-20-43-21-19-37/h8-17,22-23,30,34H,3-7,18-21H2,1-2H3/b26-22+InChIKey
ZELOBQMLMCXUFI-XTCLZLMSSA-NSynonyms
((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YL3NITROPHENYL)METHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4yl)3nitrophenyl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC(=C(C=C5)N6CCOCC6)(N+)(=O)(O)
CCOc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OCC)C2=NN1C(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
InChI=1SC35H38N4O6c13442813824(91428)22266573033(26)3638(34(30)25101529(161125)4542)35(40)27121731(32(2327)39(41)42)37182043211937h81722233034H371821H212H3b2622+
MFCD02699439
ZINC000097971208
ZINC000097971211
Check stock
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