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)-3,5-dinitrophenyl]methanone
Catalog ID
STK889234
SMILES COc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)OC)/C2=NN1C(=O)c1cc([N+](=O)[O-])c(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 C33H33N5O8 MW 627.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N5O8/c1-44-25-10-6-21(7-11-25)18-23-4-3-5-27-30(23)34-36(31(27)22-8-12-26(45-2)13-9-22)33(39)24-19-28(37(40)41)32(29(20-24)38(42)43)35-14-16-46-17-15-35/h6-13,18-20,27,31H,3-5,14-17H2,1-2H3/b23-18+InChIKey
OZJVAOCOQMONBF-PTGBLXJZSA-NSynonyms
((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YL35DINITROPHENYL)METHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4yl)35dinitrophenyl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=CC(=C(C(=C5)(N+)(=O)(O))N6CCOCC6)(N+)(=O)(O)
COc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)OC)C2=NN1C(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))N1CCOCC1
InChI=1SC33H33N5O8c1442510621(71125)18234352730(23)3436(31(27)2281226(452)13922)33(39)241928(37(40)41)32(29(2024)38(42)43)35141646171535h61318202731H351417H212H3b2318+
MFCD03489627
ZINC000102928668
ZINC000104048118
Check stock
See real-time availability and sample size for STK889234 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.