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-(2-phenylethyl)prop-2-enamide

Catalog ID
STK706776
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/C(=O)NCCc1ccccc1

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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 C27H29N5O2 MW 455.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O2/c1-20-10-9-17-32-24(20)30-25(31-15-7-2-3-8-16-31)23(27(32)34)18-22(19-28)26(33)29-14-13-21-11-5-4-6-12-21/h4-6,9-12,17-18H,2-3,7-8,13-16H2,1H3,(H,29,33)/b22-18+
InChIKey
MDRJGJNHWYABGZ-RELWKKBWSA-N
Synonyms
796879-37-3
(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2phenylethyl)prop2enamide
(E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoNphenethylacrylamide
(E)3(2(azepan1yl)9methyl4oxopyrido(12a)pyrimidin3yl)2cyanoN(2phenylethyl)prop2enamide
(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANONPHENETHYLPROP2ENAMIDE
796879373
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCCC3=CC=CC=C3)N4CCCCCC4
InChI=1SC27H29N5O2c120109173224(20)3025(311572381631)23(27(32)34)1822(1928)26(33)29141321115461221h469121718H23781316H21H3(H2933)b2218+
MFCD03669854
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)C(=O)NCCc1ccccc1
ZINC000002201050
ZINC2201050

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Available files

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