Vitas-M small molecule compound

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

Catalog ID
STK904652
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)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 C23H27N5O3 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O3/c24-15-17(22(29)25-16-18-8-7-13-31-18)14-19-21(27-10-4-1-2-5-11-27)26-20-9-3-6-12-28(20)23(19)30/h3,6,9,12,14,18H,1-2,4-5,7-8,10-11,13,16H2,(H,25,29)/b17-14+
InChIKey
VYEGBLJJIRMVAY-SAPNQHFASA-N
Synonyms
799771-82-7
(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(tetrahydrofuran2ylmethyl)prop2enamide
(2E)3(2AZAPERHYDROEPINYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN((tetrahydrofuran2yl)methyl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
799771827
C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NCC4CCCO4
InChI=1SC23H27N5O3c241517(22(29)25161887133118)141921(271041251127)26209361228(20)23(19)30h369121418H12457810111316H2(H2529)b1714+
MFCD03672022
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C(=O)NCC1CCCO1
ZINC000002205030
ZINC000002205033

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Available files

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