Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Catalog ID
STK904636
SMILES COCCCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/C#N
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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 C22H27N5O3 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3/c1-30-14-8-10-24-21(28)17(16-23)15-18-20(26-11-5-2-3-6-12-26)25-19-9-4-7-13-27(19)22(18)29/h4,7,9,13,15H,2-3,5-6,8,10-12,14H2,1H3,(H,24,28)/b17-15+InChIKey
KFNQTTJBDUOKCK-BMRADRMJSA-NSynonyms
799769-96-3(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)prop2enamide
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(3methoxypropyl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(3METHOXYPROPYL)PROP2ENAMIDE
799769963
COCCCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N
COCCCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C#N
InChI=1SC22H27N5O3c130148102421(28)17(1623)151820(261152361226)25199471327(19)22(18)29h4791315H23568101214H21H3(H2428)b1715+
MFCD03671302
ZINC000002203687
ZINC2203687
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