Vitas-M small molecule compound

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

Catalog ID
STK988041
SMILES N#C/C(=C\c1c(Oc2ccccc2C)nc2n(c1=O)cccc2C)/C(=O)NCC1CCCO1

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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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-16-7-3-4-10-21(16)33-24-20(25(31)29-11-5-8-17(2)22(29)28-24)13-18(14-26)23(30)27-15-19-9-6-12-32-19/h3-5,7-8,10-11,13,19H,6,9,12,15H2,1-2H3,(H,27,30)/b18-13+
InChIKey
IAKAFMQAIOKRBD-QGOAFFKASA-N
Synonyms
620538-74-1
(2E)2CYANO3(9METHYL2(2METHYLPHENOXY)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))N(OXOLAN2YLMETHYL)PROP2ENAMIDE
(2E)2cyano3(9methyl2(2methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(E)2CYANO3(9METHYL2(2METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
(E)2cyano3(9methyl4oxo2(otolyloxy)4Hpyrido(12a)pyrimidin3yl)N((tetrahydrofuran2yl)methyl)acrylamide
620538741
CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NCC4CCCO4
InChI=1SC25H24N4O4c1167341021(16)332420(25(31)29115817(2)22(29)2824)1318(1426)23(30)27151996123219h357810111319H691215H212H3(H2730)b1813+
MFCD04446720
ZINC000013806533
ZINC000013806537

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Available files

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