Vitas-M small molecule compound
(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)prop-2-enamide
Catalog ID
STK302485
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nn1c(C)cc(c(c1=O)C#N)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 C25H22BrN3O4 MW 508.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O4/c1-16-12-17(2)29(25(31)22(16)14-27)28-24(30)11-5-18-4-10-23(32-3)19(13-18)15-33-21-8-6-20(26)7-9-21/h4-13H,15H2,1-3H3,(H,28,30)/b11-5+InChIKey
ONPFLKTUWMLQFQ-VZUCSPMQSA-NSynonyms
512825-45-5(2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)N(3cyano46dimethyl2oxopyridin1(2H)yl)prop2enamide
(E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(3CYANO46DIMETHYL2OXOPYRIDIN1YL)PROP2ENAMIDE
512825455
CC1=CC(=C(C(=O)N1NC(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)C#N)C
COc1ccc(cc1COc1ccc(cc1)Br)C=CC(=O)Nn1c(C)cc(c(c1=O)C#N)C
InChI=1SC25H22BrN3O4c1161217(2)29(25(31)22(16)1427)2824(30)1151841023(323)19(1318)1533218620(26)7921h413H15H213H3(H2830)b115+
MFCD03468676
ZINC000002735585
ZINC02735585
ZINC2735585
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