Vitas-M small molecule compound

N-(3-fluorophenyl)-2-{[3-(2-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STL029050
SMILES COc1ccccc1Cn1c(SCC(=O)Nc2cccc(c2)F)nc2c(c1=O)scc2

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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 C22H18FN3O3S2 MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O3S2/c1-29-18-8-3-2-5-14(18)12-26-21(28)20-17(9-10-30-20)25-22(26)31-13-19(27)24-16-7-4-6-15(23)11-16/h2-11H,12-13H2,1H3,(H,24,27)
InChIKey
XUQAHTBVSDPGST-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC(=CC=C4)F
InChI=1SC22H18FN3O3S2c12918832514(18)122621(28)2017(9103020)2522(26)311319(27)241674615(23)1116h211H1213H21H3(H2427)
MFCD18189390
N(3fluorophenyl)2((3(2methoxybenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(3fluorophenyl)2(3((2methoxyphenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000057425654
ZINC57425654

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Available files

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