Vitas-M small molecule compound
(2Z)-3-{5-bromo-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-2-cyanoprop-2-enamide
Catalog ID
STK385529
SMILES CCc1cc(OCCOc2ccc(cc2/C=C(\C(=O)N)/C#N)Br)cc(c1)C
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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 C21H21BrN2O3 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3/c1-3-15-8-14(2)9-19(10-15)26-6-7-27-20-5-4-18(22)12-16(20)11-17(13-23)21(24)25/h4-5,8-12H,3,6-7H2,1-2H3,(H2,24,25)/b17-11-InChIKey
PCDYRZFKURXDSN-BOPFTXTBSA-NSynonyms
(2Z)3(5BROMO2(2(3ETHYL5METHYLPHENOXY)ETHOXY)PHENYL)2CYANOPROP2ENAMIDE
(Z)3(5bromo2(2(3ethyl5methylphenoxy)ethoxy)phenyl)2cyanoprop2enamide
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)N
CCc1cc(OCCOc2ccc(cc2C=C(C(=O)N)C#N)Br)cc(c1)C
InChI=1SC21H21BrN2O3c1315814(2)919(1015)266727205418(22)1216(20)1117(1323)21(24)25h45812H367H212H3(H22425)b1711
MFCD11853406
ZINC000023402392
ZINC23402392
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