Vitas-M small molecule compound
[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](5-nitrofuran-2-yl)methanone
Catalog ID
STL286806
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccc(o1)[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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-34-20-10-6-17(7-11-20)16-19-4-3-5-22-25(19)28-29(26(22)18-8-12-21(35-2)13-9-18)27(31)23-14-15-24(36-23)30(32)33/h6-16,22,26H,3-5H2,1-2H3/b19-16+InChIKey
UFCFKLZZPZKKNA-KNTRCKAVSA-NSynonyms
((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5NITROFURAN2YL)METHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(5nitrofuran2yl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=CC=C(O5)(N+)(=O)(O)
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccc(o1)(N+)(=O)(O)
InChI=1SC27H25N3O6c1342010617(71120)16194352225(19)2829(26(22)1881221(352)13918)27(31)23141524(3623)30(32)33h6162226H35H212H3b1916+
MFCD03489609
ZINC000012560057
ZINC000032694159
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