Vitas-M small molecule compound
(2E)-3-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
Catalog ID
STK506387
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccccc2F)\C#N)cc(c1OCC(=O)N)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 C20H17BrFN3O4 MW 462.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrFN3O4/c1-2-28-17-9-12(8-14(21)19(17)29-11-18(24)26)7-13(10-23)20(27)25-16-6-4-3-5-15(16)22/h3-9H,2,11H2,1H3,(H2,24,26)(H,25,27)/b13-7+InChIKey
PKQUXNGXXZJCQE-NTUHNPAUSA-NSynonyms
(2E)3(4(2amino2oxoethoxy)3bromo5ethoxyphenyl)2cyanoN(2fluorophenyl)prop2enamide
(E)3(4(2AMINO2OXOETHOXY)3BROMO5ETHOXYPHENYL)2CYANON(2FLUOROPHENYL)PROP2ENAMIDE
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)Br)OCC(=O)N
CCOc1cc(C=C(C(=O)Nc2ccccc2F)C#N)cc(c1OCC(=O)N)Br
InChI=1SC20H17BrFN3O4c122817912(814(21)19(17)291118(24)26)713(1023)20(27)2516643515(16)22h39H211H21H3(H22426)(H2527)b137+
MFCD02637206
ZINC000015799431
ZINC15799431
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