Vitas-M small molecule compound
methyl 3-(6-{[(3-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(pyrazolo[1,5-a]pyrimidin-3-yl)propanoate
Catalog ID
STL311058
SMILES COC(=O)CC(c1cnn2c1nccc2)c1oc(CSc2cccc(c2)F)cc(=O)c1O
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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 C22H18FN3O5S MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O5S/c1-30-19(28)10-16(17-11-25-26-7-3-6-24-22(17)26)21-20(29)18(27)9-14(31-21)12-32-15-5-2-4-13(23)8-15/h2-9,11,16,29H,10,12H2,1H3InChIKey
MFNNBRXJLSTSQF-UHFFFAOYSA-NSynonyms
1574363-86-21574363862
COC(=O)CC(C1=C2N=CC=CN2N=C1)C3=C(C(=O)C=C(O3)CSC4=CC=CC(=C4)F)O
InChI=1SC22H18FN3O5Sc13019(28)1016(171125267362422(17)26)2120(29)18(27)914(3121)12321552413(23)815h29111629H1012H21H3
methyl3(6(((3fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(6(((3fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(6((3fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3pyrazolo(15a)pyrimidin3ylpropanoate
MFCD28025882
ZINC000095473790
ZINC000095473791
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