Vitas-M small molecule compound
(2Z)-N-(1,3-benzodioxol-5-yl)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-2-cyanoprop-2-enamide
Catalog ID
STK473136
SMILES CCOc1cc(/C=C(\C(=O)Nc2ccc3c(c2)OCO3)/C#N)c(cc1OC(C)C)Br
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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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-4-27-19-8-14(17(23)10-21(19)30-13(2)3)7-15(11-24)22(26)25-16-5-6-18-20(9-16)29-12-28-18/h5-10,13H,4,12H2,1-3H3,(H,25,26)/b15-7-InChIKey
DUFRTVYKTQQQTP-CHHVJCJISA-NSynonyms
(2Z)N(13benzodioxol5yl)3(2bromo5ethoxy4(propan2yloxy)phenyl)2cyanoprop2enamide
(Z)N(13benzodioxol5yl)3(2bromo5ethoxy4propan2yloxyphenyl)2cyanoprop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3)Br)OC(C)C
CCOc1cc(C=C(C(=O)Nc2ccc3c(c2)OCO3)C#N)c(cc1OC(C)C)Br
InChI=1SC22H21BrN2O5c142719814(17(23)1021(19)3013(2)3)715(1124)22(26)2516561820(916)29122818h51013H412H213H3(H2526)b157
MFCD07092600
N(2HBENZO(34D)13DIOXOLAN5YL)(2Z)3(2BROMO5ETHOXY4(METHYLETHOXY)PHENYL)2CYANOPROP2ENAMIDE
ZINC000020175481
ZINC20175481
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