Vitas-M small molecule compound
(2E)-N-(3-bromophenyl)-3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
Catalog ID
STK182277
SMILES N#C/C(=C\c1cc(ccc1Cl)[N+](=O)[O-])/C(=O)Nc1cccc(c1)Br
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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 C16H9BrClN3O3 MW 406.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrClN3O3/c17-12-2-1-3-13(8-12)20-16(22)11(9-19)6-10-7-14(21(23)24)4-5-15(10)18/h1-8H,(H,20,22)/b11-6+InChIKey
NANVLJYPKAREHU-IZZDOVSWSA-NSynonyms
(2E)N(3BROMOPHENYL)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENAMIDE
(E)N(3BROMOPHENYL)3(2CHLORO5NITROPHENYL)2CYANOPROP2ENAMIDE
C1=CC(=CC(=C1)Br)NC(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C#N
InChI=1SC16H9BrClN3O3c171221313(812)2016(22)11(919)610714(21(23)24)4515(10)18h18H(H2022)b116+
MFCD02379132
N#CC(=Cc1cc(ccc1Cl)(N+)(=O)(O))C(=O)Nc1cccc(c1)Br
ZINC000001212028
ZINC01212028
ZINC1212028
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