Vitas-M small molecule compound
(2E)-3-(4-bromophenyl)-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Catalog ID
STK081454
SMILES N#C/C(=C\c1ccc(cc1)Br)/C(=O)Nc1ccc(cc1[N+](=O)[O-])C
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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 C17H12BrN3O3 MW 386.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN3O3/c1-11-2-7-15(16(8-11)21(23)24)20-17(22)13(10-19)9-12-3-5-14(18)6-4-12/h2-9H,1H3,(H,20,22)/b13-9+InChIKey
MMTZPOUSKBDSEL-UKTHLTGXSA-NSynonyms
(2E)3(4BROMOPHENYL)2CYANON(4METHYL2NITROPHENYL)PROP2ENAMIDE
(E)3(4BROMOPHENYL)2CYANON(4METHYL2NITROPHENYL)PROP2ENAMIDE
CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)Br)C#N)(N+)(=O)(O)
InChI=1SC17H12BrN3O3c1112715(16(811)21(23)24)2017(22)13(1019)9123514(18)6412h29H1H3(H2022)b139+
MFCD03205682
N#CC(=Cc1ccc(cc1)Br)C(=O)Nc1ccc(cc1(N+)(=O)(O))C
STK081454
ZINC000004671885
ZINC04671885
ZINC4671885
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