Vitas-M small molecule compound
(2E)-3-[2-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-N-(3-chloro-4-methylphenyl)-2-cyanoprop-2-enamide
Catalog ID
STK185247
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccc(c(c2)Cl)C)\C#N)c(cc1OCC#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 C22H18BrClN2O3 MW 473.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrClN2O3/c1-4-8-29-21-12-18(23)15(10-20(21)28-5-2)9-16(13-25)22(27)26-17-7-6-14(3)19(24)11-17/h1,6-7,9-12H,5,8H2,2-3H3,(H,26,27)/b16-9+InChIKey
RHVGNAMZFFAGGO-CXUHLZMHSA-NSynonyms
(2E)3(2BROMO5ETHOXY4(PROP2YN1YLOXY)PHENYL)N(3CHLORO4METHYLPHENYL)2CYANOPROP2ENAMIDE
(E)3(2bromo5ethoxy4prop2ynoxyphenyl)N(3chloro4methylphenyl)2cyanoprop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC(=C(C=C2)C)Cl)Br)OCC#C
CCOc1cc(C=C(C(=O)Nc2ccc(c(c2)Cl)C)C#N)c(cc1OCC#C)Br
InChI=1SC22H18BrClN2O3c14829211218(23)15(1020(21)2852)916(1325)22(27)26177614(3)19(24)1117h167912H58H223H3(H2627)b169+
MFCD03729377
ZINC000009907208
ZINC09907208
ZINC9907208
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