Vitas-M small molecule compound
furan-2-yl[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889297
SMILES O=C(N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])c1ccco1
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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 C25H20N4O6 MW 472.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O6/c30-25(22-5-2-14-35-22)27-24(17-8-12-20(13-9-17)29(33)34)21-4-1-3-18(23(21)26-27)15-16-6-10-19(11-7-16)28(31)32/h2,5-15,21,24H,1,3-4H2/b18-15+InChIKey
MAXCGEGAVSAXDP-OBGWFSINSA-NSynonyms
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C(=O)C4=CC=CO4)C5=CC=C(C=C5)(N+)(=O)(O)
FURAN2YL((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
furan2yl((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
InChI=1SC25H20N4O6c3025(2252143522)2724(1781220(13917)29(33)34)2141318(23(21)2627)151661019(11716)28(31)32h25152124H134H2b1815+
MFCD01627271
O=C(N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O))c1ccco1
ZINC000015659071
ZINC000015659077
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