Vitas-M small molecule compound

2-chloro-N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide

Catalog ID
STK872300
SMILES CCCCCn1/c(=N/C(=O)c2ccccc2Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

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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 C25H22ClN5O2 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2/c1-3-4-7-12-30-22(29-24(32)18-10-5-6-11-20(18)26)17(15-27)14-19-23(30)28-21-16(2)9-8-13-31(21)25(19)33/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b29-22+
InChIKey
KMLXSZBWPCFBQA-QUPMIFSKSA-N
Synonyms
846594-95-4
(E)2chloroN(3cyano10methyl5oxo1pentyl1Hdipyrido(12a23d)pyrimidin2(5H)ylidene)benzamide
2chloroN((2E)3cyano10methyl5oxo1pentyl15dihydro2Hdipyrido(12a23d)pyrimidin2ylidene)benzamide
846594954
CCCCCn1c(=NC(=O)c2ccccc2Cl)c(C#N)cc2c1nc1c(C)cccn1c2=O
MFCD04176480
ZINC000009222325

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Available files

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