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-cyclohexylprop-2-enamide
Catalog ID
STK596984
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/C(=O)NC1CCCCC1
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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 C25H31N5O2 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2/c1-18-10-9-15-30-22(18)28-23(29-13-7-2-3-8-14-29)21(25(30)32)16-19(17-26)24(31)27-20-11-5-4-6-12-20/h9-10,15-16,20H,2-8,11-14H2,1H3,(H,27,31)/b19-16+InChIKey
MGEQWVUNJIKFLN-KNTRCKAVSA-NSynonyms
897835-45-9(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclohexylprop2enamide
(E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNcyclohexylacrylamide
(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONCYCLOHEXYLPROP2ENAMIDE
897835459
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCCCC3)N4CCCCCC4
InChI=1SC25H31N5O2c118109153022(18)2823(291372381429)21(25(30)32)1619(1726)24(31)2720115461220h910151620H281114H21H3(H2731)b1916+
MFCD03670577
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)C(=O)NC1CCCCC1
ZINC000013541564
ZINC13541564
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