Vitas-M small molecule compound
3-[(3Z)-5-cyano-4-methyl-3-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908192
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccccc2[N+](=O)[O-])/C(=O)N(C1=O)CCCOC(=O)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 C23H19N3O7 MW 449.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O7/c1-14-18(22(28)25(23(29)19(14)13-24)10-5-11-32-15(2)27)12-16-8-9-21(33-16)17-6-3-4-7-20(17)26(30)31/h3-4,6-9,12H,5,10-11H2,1-2H3/b18-12-InChIKey
YNDFHGAYWBYPHS-PDGQHHTCSA-NSynonyms
3((3Z)5cyano4methyl3((5(2nitrophenyl)furan2yl)methylidene)26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano4methyl5((5(2nitrophenyl)furan2yl)methylidene)26dioxopyridin1yl)propylacetate
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))CCCOC(=O)C)C#N
InChI=1SC23H19N3O7c11418(22(28)25(23(29)19(14)1324)105113215(2)27)12168921(3316)17634720(17)26(30)31h346912H51011H212H3b1812
MFCD18175437
N#CC1=C(C)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C(=O)N(C1=O)CCCOC(=O)C
ZINC000016752351
ZINC16752351
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