Vitas-M small molecule compound
butyl 4-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate
Catalog ID
STK949954
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-2-3-14-33-25(30)18-4-8-20(9-5-18)27-24(29)19(16-26)15-22-12-13-23(34-22)17-6-10-21(11-7-17)28(31)32/h4-13,15H,2-3,14H2,1H3,(H,27,29)/b19-15+InChIKey
VKJAITBCQZOJHP-XDJHFCHBSA-NSynonyms
butyl4(((2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)benzoate
BUTYL4(((E)2CYANO3(5(4NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)2CYANO3(5(4NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC25H21N3O6c123143325(30)184820(9518)2724(29)19(1626)1522121323(3422)1761021(11717)28(31)32h41315H2314H21H3(H2729)b1915+
MFCD02354077
ZINC000002671120
ZINC02671120
ZINC2671120
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