Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluoro-4-methoxybenzyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL166924
SMILES COc1ccc(cc1F)CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2
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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 C22H17FN2O4S2 MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN2O4S2/c1-27-17-4-3-14(8-15(17)23)11-31-22-24-16-6-7-30-20(16)21(26)25(22)10-13-2-5-18-19(9-13)29-12-28-18/h2-9H,10-12H2,1H3InChIKey
BIUIYTKKKMMKCK-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2((3fluoro4methoxybenzyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
3(13benzodioxol5ylmethyl)2((3fluoro4methoxyphenyl)methylsulfanyl)thieno(32d)pyrimidin4one
COC1=C(C=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3)F
InChI=1SC22H17FN2O4S2c127174314(815(17)23)1131222416673020(16)21(26)25(22)1013251819(913)29122818h29H1012H21H3
MFCD20749205
ZINC000071768745
ZINC71768745
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