Vitas-M small molecule compound

3-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK869748
SMILES COc1cccc(c1)n1cnc2c(c1=O)c1CCCCc1s2

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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 C17H16N2O2S MW 312.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O2S/c1-21-12-6-4-5-11(9-12)19-10-18-16-15(17(19)20)13-7-2-3-8-14(13)22-16/h4-6,9-10H,2-3,7-8H2,1H3
InChIKey
IEUWVPDNWQUZLW-UHFFFAOYSA-N
Synonyms
62821-71-0
3(3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(3methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3(3methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
62821710
COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C4=C(S3)CCCC4
InChI=1SC17H16N2O2Sc1211264511(912)1910181615(17(19)20)13723814(13)2216h46910H2378H21H3
MFCD00841053
ZINC000000314381
ZINC00314381
ZINC314381

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Available files

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