Vitas-M small molecule compound
(2E)-3-{5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide
Catalog ID
STK385453
SMILES N#C/C(=C\c1cc(Br)ccc1OCCOc1ccc(cc1)C(C)(C)C)/C(=O)Nc1ccccc1C
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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 C29H29BrN2O3 MW 533.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O3/c1-20-7-5-6-8-26(20)32-28(33)22(19-31)17-21-18-24(30)11-14-27(21)35-16-15-34-25-12-9-23(10-13-25)29(2,3)4/h5-14,17-18H,15-16H2,1-4H3,(H,32,33)/b22-17+InChIKey
NJCLLSPJLAKQAC-OQKWZONESA-NSynonyms
(2E)3(2(2(4(TERTBUTYL)PHENOXY)ETHOXY)5BROMOPHENYL)2CYANON(2METHYLPHENYL)PROP2ENAMIDE
(2E)3(5BROMO2(2(4TERTBUTYLPHENOXY)ETHOXY)PHENYL)2CYANON(2METHYLPHENYL)PROP2ENAMIDE
(E)3(5BROMO2(2(4TERTBUTYLPHENOXY)ETHOXY)PHENYL)2CYANON(2METHYLPHENYL)PROP2ENAMIDE
CC1=CC=CC=C1NC(=O)C(=CC2=C(C=CC(=C2)Br)OCCOC3=CC=C(C=C3)C(C)(C)C)C#N
InChI=1SC29H29BrN2O3c120756826(20)3228(33)22(1931)17211824(30)111427(21)351615342512923(101325)29(23)4h5141718H1516H214H3(H3233)b2217+
MFCD02067674
N#CC(=Cc1cc(Br)ccc1OCCOc1ccc(cc1)C(C)(C)C)C(=O)Nc1ccccc1C
ZINC000097964050
ZINC97964050
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