Vitas-M small molecule compound
(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-5-methyl-2-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
Catalog ID
STL112569
SMILES COc1ccc(cc1)/C=C/1\CN(C)CC2C1=NN(C2c1ccc(cc1)OC)c1ccc(cc1)[N+](=O)[O-]
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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 C28H28N4O4 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4/c1-30-17-21(16-19-4-12-24(35-2)13-5-19)27-26(18-30)28(20-6-14-25(36-3)15-7-20)31(29-27)22-8-10-23(11-9-22)32(33)34/h4-16,26,28H,17-18H2,1-3H3/b21-16+InChIKey
WGMNVNHAENLSHC-LTGZKZEYSA-NSynonyms
(7E)3(4methoxyphenyl)7((4methoxyphenyl)methylidene)5methyl2(4nitrophenyl)33a46tetrahydropyrazolo(43c)pyridine
(7E)7(4methoxybenzylidene)3(4methoxyphenyl)5methyl2(4nitrophenyl)33a4567hexahydro2Hpyrazolo(43c)pyridine
CN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC
COc1ccc(cc1)C=C1CN(C)CC2C1=NN(C2c1ccc(cc1)OC)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H28N4O4c1301721(161941224(352)13519)2726(1830)28(2061425(363)15720)31(2927)2281023(11922)32(33)34h4162628H1718H213H3b2116+
MFCD20746980
ZINC000067321644
ZINC000106617431
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