Vitas-M small molecule compound

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

Catalog ID
STK881296
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/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 C24H25N5O3 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O3/c1-17-8-6-12-29-21(17)27-22(28-10-4-2-3-5-11-28)20(24(29)31)14-18(15-25)23(30)26-16-19-9-7-13-32-19/h6-9,12-14H,2-5,10-11,16H2,1H3,(H,26,30)/b18-14+
InChIKey
NYIFFEFWAYPYMW-NBVRZTHBSA-N
Synonyms
799772-60-4
(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(furan2ylmethyl)prop2enamide
(E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(furan2ylmethyl)acrylamide
(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(FURAN2YLMETHYL)PROP2ENAMIDE
(E)3(2AZEPAN1YL9METHYL4OXO4HPYRIDO(12A)PYRIMIDIN3YL)2CYANONFURAN2YLMETHYLACRYLAMIDE
799772604
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CO3)N4CCCCCC4
InChI=1SC24H25N5O3c11786122921(17)2722(281042351128)20(24(29)31)1418(1525)23(30)26161997133219h691214H25101116H21H3(H2630)b1814+
MFCD03672340
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)C(=O)NCc1ccco1
ZINC000002205692
ZINC2205692

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Available files

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