Vitas-M small molecule compound

2-(cyclooctylamino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one

Catalog ID
STL346452
SMILES COc1cc2c(cc1OC)CCn1c2cc(NC2CCCCCCC2)nc1=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 C22H29N3O3 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3/c1-27-19-12-15-10-11-25-18(17(15)13-20(19)28-2)14-21(24-22(25)26)23-16-8-6-4-3-5-7-9-16/h12-14,16H,3-11H2,1-2H3,(H,23,24,26)
InChIKey
QPWXXERDEUSDEZ-UHFFFAOYSA-N
Synonyms

2(cyclooctylamino)910dimethoxy67dihydro4Hpyrimido(61a)isoquinolin4one
2(CYCLOOCTYLAMINO)910DIMETHOXY67DIHYDROPYRIMID(61A)ISOQUINOLIN4ONE
2(CYCLOOCTYLAMINO)910DIMETHOXY67DIHYDROPYRIMIDO(61A)ISOQUINOLIN4ONE
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4CCCCCCC4)OC
InChI=1SC22H29N3O3c12719121510112518(17(15)1320(19)282)1421(2422(25)26)2316864357916h121416H311H212H3(H232426)
MFCD05677516
ZINC000002442746
ZINC02442746
ZINC2442746

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Available files

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