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-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL016959
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(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 C22H20F3N3O2S2 MW 479.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N3O2S2/c1-2-11-28-20(30)18-15-5-3-4-6-16(15)32-19(18)27-21(28)31-12-17(29)26-14-9-7-13(8-10-14)22(23,24)25/h2,7-10H,1,3-6,11-12H2,(H,26,29)InChIKey
OMIYRHZAKFNBOY-UHFFFAOYSA-NSynonyms
566178-18-52((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(trifluoromethyl)phenyl)acetamide
2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4(trifluoromethyl)phenyl)acetamide
2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4(trifluoromethyl)phenyl)acetamide
566178185
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)SC4=C2CCCC4
InChI=1SC22H20F3N3O2S2c12112820(30)1815534616(15)3219(18)2721(28)311217(29)26149713(81014)22(2324)25h2710H1361112H2(H2629)
MFCD04169360
ZINC000001454223
ZINC01454223
ZINC1454223
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