Vitas-M small molecule compound

2-(2-methoxynaphthalen-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

Catalog ID
STL438400
SMILES COc1ccc2c(c1c1nc(O)c3c(n1)sc1c3CCCC1)cccc2

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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 C21H18N2O2S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O2S/c1-25-15-11-10-12-6-2-3-7-13(12)17(15)19-22-20(24)18-14-8-4-5-9-16(14)26-21(18)23-19/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,22,23,24)
InChIKey
ZUQXJUURONQFRA-UHFFFAOYSA-N
Synonyms

2(2methoxynaphthalen1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4ol
2(2methoxynaphthalen1yl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C2=CC=CC=C2C=C1)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI=1SC21H18N2O2Sc12515111012623713(12)17(15)192220(24)1814845916(14)2621(18)2319h23671011H4589H21H3(H222324)
MFCD06243850
ZINC000008169732
ZINC8169732

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Available files

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