Vitas-M small molecule compound
(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK434558
SMILES N#C/C(=C/c1cc2OCOc2cc1Cl)/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 C15H14ClNO3 MW 291.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClNO3/c1-15(2,3)14(18)10(7-17)4-9-5-12-13(6-11(9)16)20-8-19-12/h4-6H,8H2,1-3H3/b10-4-InChIKey
VUJCZTZWVXLWSX-WMZJFQQLSA-NSynonyms
(2Z)2((6chloro13benzodioxol5yl)methylidene)44dimethyl3oxopentanenitrile
(2Z)2(22DIMETHYLPROPANOYL)3(6CHLORO(2HBENZO(D)13DIOXOLAN5YL))PROP2ENENITRILE
CC(C)(C)C(=O)C(=CC1=CC2=C(C=C1Cl)OCO2)C#N
InChI=1SC15H14ClNO3c115(23)14(18)10(717)4951213(611(9)16)2081912h46H8H213H3b104
MFCD04054345
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)C(C)(C)C
ZINC000017022797
ZINC17022797
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