Vitas-M small molecule compound
N-{(1Z)-3-(butylamino)-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Catalog ID
STK809226
SMILES CCCCNC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-3-4-14-26-25(30)22(27-24(29)18-10-8-17(2)9-11-18)16-21-12-13-23(33-21)19-6-5-7-20(15-19)28(31)32/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,30)(H,27,29)/b22-16-InChIKey
FJZQXSRKIHMMPW-JWGURIENSA-NSynonyms
CCCCNC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=C(C=C3)C
CCCCNC(=O)C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C
InChI=1SC25H25N3O5c134142625(30)22(2724(29)1810817(2)91118)1621121323(3321)1965720(1519)28(31)32h5131516H3414H212H3(H2630)(H2729)b2216
MFCD18169572
N((1Z)3(butylamino)1(5(3nitrophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
N((Z)3(butylamino)1(5(3nitrophenyl)furan2yl)3oxoprop1en2yl)4methylbenzamide
ZINC000003066815
ZINC03066815
ZINC3066815
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