Vitas-M small molecule compound
(2Z)-2-(azepan-1-ylcarbonyl)-3-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK878260
SMILES N#C/C(=C/c1ccc(cc1)[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 C16H17N3O3 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3/c17-12-14(16(20)18-9-3-1-2-4-10-18)11-13-5-7-15(8-6-13)19(21)22/h5-8,11H,1-4,9-10H2/b14-11-InChIKey
NANUFRWYEIOGMH-KAMYIIQDSA-NSynonyms
(2Z)2(azepan1ylcarbonyl)3(4nitrophenyl)prop2enenitrile
(Z)2(AZEPANE1CARBONYL)3(4NITROPHENYL)PROP2ENENITRILE
C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC16H17N3O3c171214(16(20)18931241018)11135715(8613)19(21)22h5811H14910H2b1411
MFCD06102634
N#CC(=Cc1ccc(cc1)(N+)(=O)(O))C(=O)N1CCCCCC1
ZINC000001104960
ZINC01104960
ZINC1104960
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