Vitas-M small molecule compound
(2E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(4-methoxybenzyl)prop-2-enamide
Catalog ID
STK473320
SMILES COc1ccc(cc1)CNC(=O)/C(=C/c1cc(Br)ccc1OCCC(C)C)/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 C23H25BrN2O3 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN2O3/c1-16(2)10-11-29-22-9-6-20(24)13-18(22)12-19(14-25)23(27)26-15-17-4-7-21(28-3)8-5-17/h4-9,12-13,16H,10-11,15H2,1-3H3,(H,26,27)/b19-12+InChIKey
CFPDEOCXGRROTB-XDHOZWIPSA-NSynonyms
(2E)3(5BROMO2(3METHYLBUTOXY)PHENYL)2CYANON((4METHOXYPHENYL)METHYL)PROP2ENAMIDE
(2E)3(5bromo2(3methylbutoxy)phenyl)2cyanoN(4methoxybenzyl)prop2enamide
(E)3(5bromo2(3methylbutoxy)phenyl)2cyanoN((4methoxyphenyl)methyl)prop2enamide
CC(C)CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NCC2=CC=C(C=C2)OC
COc1ccc(cc1)CNC(=O)C(=Cc1cc(Br)ccc1OCCC(C)C)C#N
InChI=1SC23H25BrN2O3c116(2)101129229620(24)1318(22)1219(1425)23(27)2615174721(283)8517h49121316H101115H213H3(H2627)b1912+
MFCD07090025
ZINC000020468568
ZINC20468568
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