Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide
Catalog ID
STK431307
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1cc(Cl)ccc1OC
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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 C18H12Cl2N2O4 MW 391.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2N2O4/c1-24-15-3-2-12(19)6-14(15)22-18(23)11(8-21)4-10-5-16-17(7-13(10)20)26-9-25-16/h2-7H,9H2,1H3,(H,22,23)/b11-4+InChIKey
QXVYXFAPIUQFAT-NYYWCZLTSA-NSynonyms
(2E)3(6CHLORO(2HBENZO(D)13DIOXOLAN5YL))N(5CHLORO2METHOXYPHENYL)2CYANOPROP2ENAMIDE
(2E)3(6chloro13benzodioxol5yl)N(5chloro2methoxyphenyl)2cyanoprop2enamide
(E)3(6CHLORO13BENZODIOXOL5YL)N(5CHLORO2METHOXYPHENYL)2CYANOPROP2ENAMIDE
COC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N
InChI=1SC18H12Cl2N2O4c124153212(19)614(15)2218(23)11(821)41051617(713(10)20)2692516h27H9H21H3(H2223)b114+
MFCD03466211
N#CC(=Cc1cc2OCOc2cc1Cl)C(=O)Nc1cc(Cl)ccc1OC
ZINC000002749322
ZINC02749322
ZINC2749322
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