Vitas-M small molecule compound

pentyl 4-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate

Catalog ID
STK949970
SMILES CCCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[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/c1-2-3-4-14-34-26(31)18-8-10-21(11-9-18)28-25(30)20(17-27)16-23-12-13-24(35-23)19-6-5-7-22(15-19)29(32)33/h5-13,15-16H,2-4,14H2,1H3,(H,28,30)/b20-16+
InChIKey
HDJBJJKAOVWXKG-CAPFRKAQSA-N
Synonyms

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)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC26H23N3O6c1234143426(31)1881021(11918)2825(30)20(1727)1623121324(3523)1965722(1519)29(32)33h5131516H2414H21H3(H2830)b2016+
MFCD02364492
pentyl4(((2E)2cyano3(5(3nitrophenyl)furan2yl)prop2enoyl)amino)benzoate
PENTYL4(((E)2CYANO3(5(3NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOATE
PENTYL4((2E)2CYANO3(5(3NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)BENZOATE
ZINC000001773145
ZINC01773145
ZINC1773145

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Available files

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