Vitas-M small molecule compound
2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STL016960
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OC(F)(F)F)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 C22H20F3N3O3S2 MW 495.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O3S2/c1-2-11-28-20(30)18-15-5-3-4-6-16(15)33-19(18)27-21(28)32-12-17(29)26-13-7-9-14(10-8-13)31-22(23,24)25/h2,7-10H,1,3-6,11-12H2,(H,26,29)InChIKey
MKAFNMBUOWZPBO-UHFFFAOYSA-NSynonyms
2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4(trifluoromethoxy)phenyl)acetamide
2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4(trifluoromethoxy)phenyl)acetamide
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)SC4=C2CCCC4
InChI=1SC22H20F3N3O3S2c12112820(30)1815534616(15)3319(18)2721(28)321217(29)26137914(10813)3122(2324)25h2710H1361112H2(H2629)
MFCD04183880
ZINC000002671032
ZINC02671032
ZINC2671032
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