Vitas-M small molecule compound

(2E)-2-cyano-N-(2,6-dimethylphenyl)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide

Catalog ID
STL164195
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])/C(=O)Nc1c(C)cccc1C

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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 C23H19N3O4 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4/c1-14-5-4-6-15(2)22(14)25-23(27)17(13-24)12-19-8-10-21(30-19)20-9-7-18(26(28)29)11-16(20)3/h4-12H,1-3H3,(H,25,27)/b17-12+
InChIKey
NZWDSHLAGCQNPF-SFQUDFHCSA-N
Synonyms

(2E)2cyanoN(26dimethylphenyl)3(5(2methyl4nitrophenyl)furan2yl)prop2enamide
(E)2CYANON(26DIMETHYLPHENYL)3(5(2METHYL4NITROPHENYL)FURAN2YL)PROP2ENAMIDE
CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))C)C#N
InChI=1SC23H19N3O4c11454615(2)22(14)2523(27)17(1324)121981021(3019)209718(26(28)29)1116(20)3h412H13H3(H2527)b1712+
MFCD02225251
N#CC(=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))C(=O)Nc1c(C)cccc1C
ZINC000000867574
ZINC00867574
ZINC867574

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Available files

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