Vitas-M small molecule compound
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL307589
SMILES C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)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 C22H20N2O4S2 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S2/c1-2-9-24-21(26)19-14-5-3-4-6-18(14)30-20(19)23-22(24)29-11-15(25)13-7-8-16-17(10-13)28-12-27-16/h2,7-8,10H,1,3-6,9,11-12H2InChIKey
PJUCMYGQRMMWQC-UHFFFAOYSA-NSynonyms
315676-55-22((2(13benzodioxol5yl)2oxoethyl)sulfanyl)3(prop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(13benzodioxol5yl)2oxoethyl)sulfanyl3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
315676552
3allyl2((2(benzo(d)(13)dioxol5yl)2oxoethyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC5=C2CCCC5
InChI=1SC22H20N2O4S2c1292421(26)1914534618(14)3020(19)2322(24)291115(25)13781617(1013)28122716h27810H13691112H2
MFCD02328870
ZINC000000628150
ZINC00628150
ZINC628150
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