Vitas-M small molecule compound
3-ethyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL339023
SMILES CCn1c(SC/C=C/c2ccccc2)nc2c(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 C21H22N2OS2 MW 382.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS2/c1-2-23-20(24)18-16-12-6-7-13-17(16)26-19(18)22-21(23)25-14-8-11-15-9-4-3-5-10-15/h3-5,8-11H,2,6-7,12-14H2,1H3/b11-8+InChIKey
ZHLLGHOQRJWLBZ-DHZHZOJOSA-NSynonyms
679417-21-12(cinnamylthio)3ethyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3ethyl2(((2E)3phenylprop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3ethyl2((E)3phenylprop2enyl)sulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
679417211
CCN1C(=O)C2=C(N=C1SCC=CC3=CC=CC=C3)SC4=C2CCCC4
CCn1c(SCC=Cc2ccccc2)nc2c(c1=O)c1CCCCc1s2
InChI=1SC21H22N2OS2c122320(24)181612671317(16)2619(18)2221(23)25148111594351015h35811H2671214H21H3b118+
MFCD04008089
ZINC000002522385
ZINC02522385
ZINC2522385
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