Vitas-M small molecule compound

8-butyl-3,3-dimethyl-6-{4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-yl}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

Catalog ID
STL311964
SMILES CCCCc1nc(N2CCN(CC2)CC(=O)N2CCCCC2)c(c2c1COC(C2)(C)C)C#N

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H39N5O2 MW 453.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N5O2/c1-4-5-9-23-22-19-33-26(2,3)16-20(22)21(17-27)25(28-23)31-14-12-29(13-15-31)18-24(32)30-10-7-6-8-11-30/h4-16,18-19H2,1-3H3
InChIKey
UAKGAIXFKBWOMS-UHFFFAOYSA-N
Synonyms
1441902-09-5
1441902095
8butyl33dimethyl6(4(2oxo2(piperidin1yl)ethyl)piperazin1yl)34dihydro1Hpyrano(34c)pyridine5carbonitrile
8butyl33dimethyl6(4(2oxo2piperidin1ylethyl)piperazin1yl)14dihydropyrano(34c)pyridine5carbonitrile
CCCCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)CC(=O)N4CCCCC4)C#N)(C)C
InChI=1SC26H39N5O2c14592322193326(23)1620(22)21(1727)25(2823)31141229(131531)1824(32)30107681130h4161819H213H3
MFCD28026392
ZINC000095474423
ZINC95474423

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Available files

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