Vitas-M small molecule compound
2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Catalog ID
STL347924
SMILES COc1cc2CCn3c(c2cc1OC)cc(nc3=O)Nc1cc(ccc1Cl)C(F)(F)F
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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 C21H17ClF3N3O3 MW 451.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClF3N3O3/c1-30-17-7-11-5-6-28-16(13(11)9-18(17)31-2)10-19(27-20(28)29)26-15-8-12(21(23,24)25)3-4-14(15)22/h3-4,7-10H,5-6H2,1-2H3,(H,26,27,29)InChIKey
XECAINDRTLNQGU-UHFFFAOYSA-NSynonyms
861630-87-72((2chloro5(trifluoromethyl)phenyl)amino)910dimethoxy67dihydro4Hpyrimido(61a)isoquinolin4one
2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)910DIMETHOXY67DIHYDROPYRIMIDO(61A)ISOQUINOLIN4ONE
861630877
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)OC
InChI=1SC21H17ClF3N3O3c13017711562816(13(11)918(17)312)1019(2720(28)29)2615812(21(2324)25)3414(15)22h34710H56H212H3(H262729)
MFCD05684912
ZINC000009012757
ZINC09012757
ZINC9012757
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