Vitas-M small molecule compound
methyl 3-(6-{[(2,4-difluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL318880
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2F)F)cc(=O)c1O)c1cnn(c1)C
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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 C20H18F2N2O5S MW 436.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F2N2O5S/c1-24-9-11(8-23-24)14(7-18(26)28-2)20-19(27)16(25)6-13(29-20)10-30-17-4-3-12(21)5-15(17)22/h3-6,8-9,14,27H,7,10H2,1-2H3InChIKey
GABXDQRPFIZPSQ-UHFFFAOYSA-NSynonyms
1442077-59-91442077599
CN1C=C(C=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=C(C=C(C=C3)F)F)O
InChI=1SC20H18F2N2O5Sc124911(82324)14(718(26)282)2019(27)16(25)613(2920)1030174312(21)515(17)22h36891427H710H212H3
methyl3(6(((24difluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(6(((24difluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(6((24difluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(1methylpyrazol4yl)propanoate
MFCD28031541
ZINC000095479650
ZINC000095479651
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