Vitas-M small molecule compound
1-(3-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Catalog ID
STK905582
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)/C(=O)Nc1ccc(cc1)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 C26H26N6O3 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3/c1-16-5-7-20(8-6-16)29-25(34)19(15-27)14-21-24(31-12-9-18(10-13-31)22(28)33)30-23-17(2)4-3-11-32(23)26(21)35/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H2,28,33)(H,29,34)/b19-14+InChIKey
YOJLWUWXQYBVLH-XMHGGMMESA-NSynonyms
862194-47-6(E)1(3(2cyano3oxo3(ptolylamino)prop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((1E)2cyano3((4methylphenyl)amino)3oxoprop1en1yl)9methyl4oxo4Hpyrido(12a)pyrimidin2yl)piperidine4carboxamide
1(3((E)2CYANO3(4METHYLANILINO)3OXOPROP1ENYL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN2YL)PIPERIDINE4CARBOXAMIDE
862194476
CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)N)C#N
InChI=1SC26H26N6O3c1165720(8616)2925(34)19(1527)142124(3112918(101331)22(28)33)302317(2)431132(23)26(21)35h38111418H9101213H212H3(H22833)(H2934)b1914+
MFCD03669243
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C(=O)N)C(=O)Nc1ccc(cc1)C
ZINC000009291882
ZINC9291882
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.