Vitas-M small molecule compound
(2Z)-2-cyano-N-(3-cyanothiophen-2-yl)-3-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Catalog ID
STK467311
SMILES N#C/C(=C/c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)/C(=O)Nc1sccc1C#N
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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 C23H15FN4O5S MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FN4O5S/c1-32-20-5-2-14(8-16(12-26)22(29)27-23-15(11-25)6-7-34-23)9-17(20)13-33-21-10-18(24)3-4-19(21)28(30)31/h2-10H,13H2,1H3,(H,27,29)/b16-8-InChIKey
DTSXDRVOOXBVDO-PXNMLYILSA-NSynonyms
(2Z)2cyanoN(3cyanothiophen2yl)3(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)prop2enamide
(Z)2cyanoN(3cyanothiophen2yl)3(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)prop2enamide
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)COC3=C(C=CC(=C3)F)(N+)(=O)(O)
InChI=1SC23H15FN4O5Sc132205214(816(1226)22(29)272315(1125)673423)917(20)1333211018(24)3419(21)28(30)31h210H13H21H3(H2729)b168
MFCD09594878
N#CC(=Cc1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)C(=O)Nc1sccc1C#N
ZINC000022714325
ZINC22714325
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