Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-cycloheptylprop-2-enamide
Catalog ID
STK422830
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)NC1CCCCCC1
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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 C18H19ClN2O3 MW 346.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O3/c19-15-9-17-16(23-11-24-17)8-12(15)7-13(10-20)18(22)21-14-5-3-1-2-4-6-14/h7-9,14H,1-6,11H2,(H,21,22)/b13-7+InChIKey
SSPXGFWYYVSHHV-NTUHNPAUSA-NSynonyms
(2E)3(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))2CYANONCYCLOHEPTYLPROP2ENAMIDE
(2E)3(6chloro13benzodioxol5yl)2cyanoNcycloheptylprop2enamide
(E)3(6CHLORO13BENZODIOXOL5YL)2CYANONCYCLOHEPTYLPROP2ENAMIDE
C1CCCC(CC1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC18H19ClN2O3c191591716(23112417)812(15)713(1020)18(22)211453124614h7914H1611H2(H2122)b137+
MFCD02176342
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)NC1CCCCCC1
ZINC000002759093
ZINC02759093
ZINC2759093
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