Vitas-M small molecule compound
(2E)-2-cyano-3-{3-[(4-cyanophenoxy)methyl]-4-methoxyphenyl}-N-(2,4,6-trimethylphenyl)prop-2-enamide
Catalog ID
STK474103
SMILES N#C/C(=C\c1ccc(c(c1)COc1ccc(cc1)C#N)OC)/C(=O)Nc1c(C)cc(cc1C)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 C28H25N3O3 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3/c1-18-11-19(2)27(20(3)12-18)31-28(32)23(16-30)13-22-7-10-26(33-4)24(14-22)17-34-25-8-5-21(15-29)6-9-25/h5-14H,17H2,1-4H3,(H,31,32)/b23-13+InChIKey
BDEBYYRFCWGUTG-YDZHTSKRSA-NSynonyms
(2E)2cyano3(3((4cyanophenoxy)methyl)4methoxyphenyl)N(246trimethylphenyl)prop2enamide
(E)2cyano3(3((4cyanophenoxy)methyl)4methoxyphenyl)N(246trimethylphenyl)prop2enamide
CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)C#N)C#N)C
InChI=1SC28H25N3O3c1181119(2)27(20(3)1218)3128(32)23(1630)132271026(334)24(1422)1734258521(1529)6925h514H17H214H3(H3132)b2313+
MFCD07092424
N#CC(=Cc1ccc(c(c1)COc1ccc(cc1)C#N)OC)C(=O)Nc1c(C)cc(cc1C)C
ZINC000020344391
ZINC20344391
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