Vitas-M small molecule compound
(2Z)-2-(azepan-1-ylcarbonyl)-3-[5-(2-methyl-3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK322878
SMILES N#C/C(=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-])/C(=O)N1CCCCCC1
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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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-15-18(7-6-8-19(15)24(26)27)20-10-9-17(28-20)13-16(14-22)21(25)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3/b16-13-InChIKey
LNEDTOQMYDDHDK-SSZFMOIBSA-NSynonyms
(2Z)2(azepan1ylcarbonyl)3(5(2methyl3nitrophenyl)furan2yl)prop2enenitrile
(Z)2(azepane1carbonyl)3(5(2methyl3nitrophenyl)furan2yl)prop2enenitrile
CC1=C(C=CC=C1(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C(=O)N3CCCCCC3
InChI=1SC21H21N3O4c11518(76819(15)24(26)27)2010917(2820)1316(1422)21(25)231142351223h61013H251112H21H3b1613
MFCD09961637
N#CC(=Cc1ccc(o1)c1cccc(c1C)(N+)(=O)(O))C(=O)N1CCCCCC1
ZINC000012655229
ZINC12655229
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