Vitas-M small molecule compound
pentyl 4-({(2E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate
Catalog ID
STK949968
SMILES CCCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])/C#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 C26H23N3O6 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O6/c1-2-3-6-15-34-26(31)18-9-11-20(12-10-18)28-25(30)19(17-27)16-21-13-14-24(35-21)22-7-4-5-8-23(22)29(32)33/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,28,30)/b19-16+InChIKey
WRARIBVWIFEAJA-KNTRCKAVSA-NSynonyms
CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))C#N
CCCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))C#N
InChI=1SC26H23N3O6c1236153426(31)1891120(121018)2825(30)19(1727)1621131424(3521)22745823(22)29(32)33h4571416H23615H21H3(H2830)b1916+
MFCD02364493
pentyl4(((2E)2cyano3(5(2nitrophenyl)furan2yl)prop2enoyl)amino)benzoate
PENTYL4(((E)2CYANO3(5(2NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOATE
PENTYL4((2E)2CYANO3(5(2NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)BENZOATE
ZINC000001773148
ZINC01773148
ZINC1773148
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