Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(2,4-dimethoxyphenyl)prop-2-enamide
Catalog ID
STK435272
SMILES COc1ccc(c(c1)OC)NC(=O)/C(=C/c1cc2OCOc2cc1Cl)/C#N
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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 C19H15ClN2O5 MW 386.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O5/c1-24-13-3-4-15(16(7-13)25-2)22-19(23)12(9-21)5-11-6-17-18(8-14(11)20)27-10-26-17/h3-8H,10H2,1-2H3,(H,22,23)/b12-5+InChIKey
LNNAHAKVOFMVPJ-LFYBBSHMSA-NSynonyms
(2E)3(6chloro13benzodioxol5yl)2cyanoN(24dimethoxyphenyl)prop2enamide
(2E)N(24DIMETHOXYPHENYL)3(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))2CYANOPROP2ENAMIDE
(E)3(6CHLORO13BENZODIOXOL5YL)2CYANON(24DIMETHOXYPHENYL)PROP2ENAMIDE
COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2Cl)OCO3)C#N)OC
COc1ccc(c(c1)OC)NC(=O)C(=Cc1cc2OCOc2cc1Cl)C#N
InChI=1SC19H15ClN2O5c124133415(16(713)252)2219(23)12(921)51161718(814(11)20)27102617h38H10H212H3(H2223)b125+
MFCD03943685
ZINC000006736144
ZINC06736144
ZINC6736144
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