Vitas-M small molecule compound
3-(4-fluorophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL369866
SMILES Fc1ccc(cc1)n1c(SCC(=O)N2CCCC2)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 C22H22FN3O2S2 MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O2S2/c23-14-7-9-15(10-8-14)26-21(28)19-16-5-1-2-6-17(16)30-20(19)24-22(26)29-13-18(27)25-11-3-4-12-25/h7-10H,1-6,11-13H2InChIKey
JVKJRQYUWDHDJN-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)2((2oxo2(pyrrolidin1yl)ethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4fluorophenyl)2(2oxo2pyrrolidin1ylethyl)sulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)F)SCC(=O)N5CCCC5
InChI=1SC22H22FN3O2S2c23147915(10814)2621(28)1916512617(16)3020(19)2422(26)291318(27)2511341225h710H161113H2
MFCD03864597
ZINC000000686586
ZINC00686586
ZINC686586
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