Vitas-M small molecule compound

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

Catalog ID
STK688426
SMILES COc1cc2c(cc1OC)CCn1c2cc(Sc2ccc(cc2)C)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/c1-13-4-6-15(7-5-13)27-20-12-17-16-11-19(26-3)18(25-2)10-14(16)8-9-23(17)21(24)22-20/h4-7,10-12H,8-9H2,1-3H3
InChIKey
XTZPKELLEYHJMF-UHFFFAOYSA-N
Synonyms
23DIMETHOXY10(4METHYLPHENYLTHIO)567TRIHYDROPYRIMIDINO(61A)ISOQUINOLIN8ONE
910dimethoxy2((4methylphenyl)sulfanyl)67dihydro4Hpyrimido(61a)isoquinolin4one
910DIMETHOXY2(4METHYLPHENYL)SULFANYL67DIHYDROPYRIMIDO(61A)ISOQUINOLIN4ONE
CC1=CC=C(C=C1)SC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC
Registry IDs
MFCD07657569
ZINC000004775835
ZINC04775835
ZINC4775835

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Available files

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