Vitas-M small molecule compound

(2E)-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)prop-2-enamide

Catalog ID
STK705009
SMILES N#C/C(=C\c1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)/C(=O)NCCc1ccccc1

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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 C28H24N4O3 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O3/c1-19-8-6-12-23(16-19)35-27-24(28(34)32-15-7-9-20(2)25(32)31-27)17-22(18-29)26(33)30-14-13-21-10-4-3-5-11-21/h3-12,15-17H,13-14H2,1-2H3,(H,30,33)/b22-17+
InChIKey
DMUDLRIBCLSKIW-OQKWZONESA-N
Synonyms
620112-67-6
(2E)2cyano3(9methyl2(3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(2phenylethyl)prop2enamide
(E)2cyano3(9methyl2(3methylphenoxy)4oxopyrido(12a)pyrimidin3yl)N(2phenylethyl)prop2enamide
(E)2CYANO3(9METHYL2(3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)NPHENETHYLPROP2ENAMIDE
(E)2cyano3(9methyl4oxo2(mtolyloxy)4Hpyrido(12a)pyrimidin3yl)Nphenethylacrylamide
620112676
CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCCC4=CC=CC=C4
InChI=1SC28H24N4O3c119861223(1619)352724(28(34)32157920(2)25(32)3127)1722(1829)26(33)30141321104351121h3121517H1314H212H3(H3033)b2217+
MFCD04159050
N#CC(=Cc1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)C(=O)NCCc1ccccc1
ZINC000003644150
ZINC3644150

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.