Vitas-M small molecule compound

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

Catalog ID
STK904656
SMILES COCCNC(=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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-29-13-9-23-20(27)16(15-22)14-17-19(25-10-5-2-3-6-11-25)24-18-8-4-7-12-26(18)21(17)28/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,23,27)/b16-14+
InChIKey
DNDWBLSNUGAESW-JQIJEIRASA-N
Synonyms
796877-06-0
(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2methoxyethyl)prop2enamide
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2cyanoN(2methoxyethyl)acrylamide
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2CYANON(2METHOXYETHYL)PROP2ENAMIDE
796877060
COCCNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N3CCCCCC3)C#N
COCCNC(=O)C(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)C#N
InChI=1SC21H25N5O3c1291392320(27)16(1522)141719(251052361125)24188471226(18)21(17)28h4781214H235691113H21H3(H2327)b1614+
MFCD03669058
ZINC000004995996
ZINC4995996

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Available files

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