Vitas-M small molecule compound
(2E)-3-{4-[(4-bromophenoxy)methyl]-3-ethoxyphenyl}-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide
Catalog ID
STK329789
SMILES CCOc1cc(ccc1COc1ccc(cc1)Br)/C=C(/C(=O)Nc1cccc(c1)OCC)\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 C27H25BrN2O4 MW 521.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O4/c1-3-32-25-7-5-6-23(16-25)30-27(31)21(17-29)14-19-8-9-20(26(15-19)33-4-2)18-34-24-12-10-22(28)11-13-24/h5-16H,3-4,18H2,1-2H3,(H,30,31)/b21-14+InChIKey
ZIDNUMXXKWNGMR-KGENOOAVSA-NSynonyms
(2E)3(4((4bromophenoxy)methyl)3ethoxyphenyl)2cyanoN(3ethoxyphenyl)prop2enamide
(E)3(4((4bromophenoxy)methyl)3ethoxyphenyl)2cyanoN(3ethoxyphenyl)prop2enamide
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)COC3=CC=C(C=C3)Br)OCC)C#N
CCOc1cc(ccc1COc1ccc(cc1)Br)C=C(C(=O)Nc1cccc(c1)OCC)C#N
InChI=1SC27H25BrN2O4c13322575623(1625)3027(31)21(1729)14198920(26(1519)3342)183424121022(28)111324h516H3418H212H3(H3031)b2114+
MFCD02309085
ZINC000018192496
ZINC18192496
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