Vitas-M small molecule compound
(2E)-2-(4-chlorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK114207
SMILES N#C/C(=C\c1ccc(cc1)Cl)/C(=O)C(C)(C)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 C14H14ClNO MW 247.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClNO/c1-14(2,3)13(17)11(9-16)8-10-4-6-12(15)7-5-10/h4-8H,1-3H3/b11-8+InChIKey
ZDXXNHLQXKSQQN-DHZHZOJOSA-NSynonyms
958266-54-1(2E)2((4CHLOROPHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(22DIMETHYLPROPANOYL)3(4CHLOROPHENYL)PROP2ENENITRILE
(2E)2(4CHLOROBENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
3(4CHLOROPHENYL)2(22DIMETHYLPROPANOYL)ACRYLONITRILE
958266541
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)Cl)C#N
InChI=1SC14H14ClNOc114(23)13(17)11(916)8104612(15)7510h48H13H3b118+
MFCD00137586
N#CC(=Cc1ccc(cc1)Cl)C(=O)C(C)(C)C
ZINC000001395539
ZINC01395539
ZINC1395539
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