Vitas-M small molecule compound
2-(benzylsulfanyl)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Catalog ID
STL435526
SMILES COc1cc2c(cc1OC)CCn1c2cc(SCc2ccccc2)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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-25-18-10-15-8-9-23-17(16(15)11-19(18)26-2)12-20(22-21(23)24)27-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3InChIKey
KREQJLHDFGOUID-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)910dimethoxy67dihydro4Hpyrimido(61a)isoquinolin4one
2benzylsulfanyl910dimethoxy67dihydropyrimido(61a)isoquinolin4one
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)SCC4=CC=CC=C4)OC
InChI=1SC21H20N2O3Sc125181015892317(16(15)1119(18)262)1220(2221(23)24)2713146435714h371012H8913H212H3
MFCD25975477
ZINC000066088664
ZINC66088664
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