Vitas-M small molecule compound
2-{5-[4-(trifluoromethoxy)phenyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK771012
SMILES O=c1nc([nH]c2c1c1CCCCc1s2)c1ccc(o1)c1ccc(cc1)OC(F)(F)F
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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 C21H15F3N2O3S MW 432.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O3S/c22-21(23,24)29-12-7-5-11(6-8-12)14-9-10-15(28-14)18-25-19(27)17-13-3-1-2-4-16(13)30-20(17)26-18/h5-10H,1-4H2,(H,25,26,27)InChIKey
JIGSSOJWRPTJQI-UHFFFAOYSA-NSynonyms
2(5(4(trifluoromethoxy)phenyl)furan2yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(5(4(trifluoromethoxy)phenyl)furan2yl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(O4)C5=CC=C(C=C5)OC(F)(F)F
InChI=1SC21H15F3N2O3Sc2221(2324)29127511(6812)1491015(2814)182519(27)1713312416(13)3020(17)2618h510H14H2(H252627)
MFCD03766840
O=c1nc((nH)c2c1c1CCCCc1s2)c1ccc(o1)c1ccc(cc1)OC(F)(F)F
ZINC000003623525
ZINC03623525
ZINC3623525
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