Vitas-M small molecule compound

methyl (2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

Catalog ID
STK583552
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/C(=O)OC

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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 C20H22N4O3 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3/c1-14-8-7-11-24-17(14)22-18(23-9-5-3-4-6-10-23)16(19(24)25)12-15(13-21)20(26)27-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b15-12+
InChIKey
ALWLRSIGXVGTJV-NTCAYCPXSA-N
Synonyms
896828-34-5
(E)3(2(1AZEPANYL)9METHYL4OXO3PYRIDO(12A)PYRIMIDINYL)2CYANO2PROPENOICACIDMETHYLESTER
(E)3(2(AZEPAN1YL)4KETO9METHYLPYRIDO(12A)PYRIMIDIN3YL)2CYANOACRYLICACIDMETHYLESTER
(E)methyl3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoacrylate
896828345
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)OC)N3CCCCCC3
InChI=1SC20H22N4O3c11487112417(14)2218(23953461023)16(19(24)25)1215(1321)20(26)272h781112H36910H212H3b1512+
methyl(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoprop2enoate
METHYL(E)3(2(AZEPAN1YL)9METHYL4OXIDANYLIDENEPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
METHYL(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANOPROP2ENOATE
MFCD03669245
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)C(=O)OC
ZINC000002217575
ZINC2217575

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Available files

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