Vitas-M small molecule compound
(2E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
Catalog ID
STL101790
SMILES N#C/C(=C\c1ccc(cc1)C)/C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
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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 C17H12ClN3O3 MW 341.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O3/c1-11-2-4-12(5-3-11)8-13(10-19)17(22)20-16-7-6-14(21(23)24)9-15(16)18/h2-9H,1H3,(H,20,22)/b13-8+InChIKey
IRVFZWIZZPZKQB-MDWZMJQESA-NSynonyms
(2E)N(2chloro4nitrophenyl)2cyano3(4methylphenyl)prop2enamide
(E)N(2CHLORO4NITROPHENYL)2CYANO3(4METHYLPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))Cl
InChI=1SC17H12ClN3O3c1112412(5311)813(1019)17(22)20167614(21(23)24)915(16)18h29H1H3(H2022)b138+
MFCD07428976
N#CC(=Cc1ccc(cc1)C)C(=O)Nc1ccc(cc1Cl)(N+)(=O)(O)
ZINC000016789756
ZINC16789756
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