Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK072875
SMILES COc1ccc(cc1)n1c(SCc2cccc(c2)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 C25H21F3N2O2S2 MW 502.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N2O2S2/c1-32-18-11-9-17(10-12-18)30-23(31)21-19-7-2-3-8-20(19)34-22(21)29-24(30)33-14-15-5-4-6-16(13-15)25(26,27)28/h4-6,9-13H,2-3,7-8,14H2,1H3InChIKey
HTZAPBQKWWNPTI-UHFFFAOYSA-NSynonyms
477329-57-03(4methoxyphenyl)2((3(trifluoromethyl)benzyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2((3(trifluoromethyl)benzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)2((3(trifluoromethyl)phenyl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
477329570
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)C(F)(F)F)SC5=C3CCCC5
COc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H21F3N2O2S2c1321811917(101218)3023(31)2119723820(19)3422(21)2924(30)33141554616(1315)25(2627)28h46913H237814H21H3
MFCD03473829
STK072875
ZINC000001752587
ZINC01752587
ZINC1752587
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