Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK830555
SMILES C#CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3
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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 C20H18N2O2S2 MW 382.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2S2/c1-3-12-25-20-21-18-17(15-6-4-5-7-16(15)26-18)19(23)22(20)13-8-10-14(24-2)11-9-13/h1,8-11H,4-7,12H2,2H3InChIKey
ZHIOWXXLLRKERX-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)2(prop2yn1ylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2(prop2yn1ylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2prop2ynylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#C)SC4=C3CCCC4
InChI=1SC20H18N2O2S2c13122520211817(15645716(15)2618)19(23)22(20)1381014(242)11913h1811H4712H22H3
MFCD01448556
ZINC000002292488
ZINC02292488
ZINC2292488
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