Vitas-M small molecule compound
(2E)-3-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
Catalog ID
STK185264
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccccc2F)\C#N)cc(c1OCc1cccc2c1cccc2)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 C29H22BrFN2O3 MW 545.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrFN2O3/c1-2-35-27-16-19(14-22(17-32)29(34)33-26-13-6-5-12-25(26)31)15-24(30)28(27)36-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-16H,2,18H2,1H3,(H,33,34)/b22-14+InChIKey
JPWDNNFUIXDJNW-HYARGMPZSA-NSynonyms
(2E)3(3BROMO5ETHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)2CYANON(2FLUOROPHENYL)PROP2ENAMIDE
(E)3(3BROMO5ETHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)2CYANON(2FLUOROPHENYL)PROP2ENAMIDE
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)Br)OCC3=CC=CC4=CC=CC=C43
CCOc1cc(C=C(C(=O)Nc2ccccc2F)C#N)cc(c1OCc1cccc2c1cccc2)Br
InChI=1SC29H22BrFN2O3c1235271619(1422(1732)29(34)332613651225(26)31)1524(30)28(27)3618211079208341123(20)21h316H218H21H3(H3334)b2214+
MFCD03729629
ZINC000097960762
ZINC97960762
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