Vitas-M small molecule compound
(2E)-N-(4-chlorophenyl)-2-cyano-3-(2,4-dichloro-5-nitrophenyl)prop-2-enamide
Catalog ID
STK183645
SMILES N#C/C(=C\c1cc([N+](=O)[O-])c(cc1Cl)Cl)/C(=O)Nc1ccc(cc1)Cl
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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 C16H8Cl3N3O3 MW 396.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H8Cl3N3O3/c17-11-1-3-12(4-2-11)21-16(23)10(8-20)5-9-6-15(22(24)25)14(19)7-13(9)18/h1-7H,(H,21,23)/b10-5+InChIKey
VGNZBTZRYRFWGC-BJMVGYQFSA-NSynonyms
(2E)N(4CHLOROPHENYL)2CYANO3(24DICHLORO5NITROPHENYL)PROP2ENAMIDE
(E)N(4CHLOROPHENYL)2CYANO3(24DICHLORO5NITROPHENYL)PROP2ENAMIDE
C1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C=C2Cl)Cl)(N+)(=O)(O))C#N)Cl
InChI=1SC16H8Cl3N3O3c17111312(4211)2116(23)10(820)59615(22(24)25)14(19)713(9)18h17H(H2123)b105+
MFCD04336940
N#CC(=Cc1cc((N+)(=O)(O))c(cc1Cl)Cl)C(=O)Nc1ccc(cc1)Cl
ZINC000004723286
ZINC04723286
ZINC4723286
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