Vitas-M small molecule compound
methyl 3-(3-hydroxy-6-{[(3-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL316197
SMILES COC(=O)CC(c1oc(CSc2cccc(c2)OC)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 C21H22N2O6S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6S/c1-23-11-13(10-22-23)17(9-19(25)28-3)21-20(26)18(24)8-15(29-21)12-30-16-6-4-5-14(7-16)27-2/h4-8,10-11,17,26H,9,12H2,1-3H3InChIKey
WGSKXUVUYOOOMF-UHFFFAOYSA-NSynonyms
1435997-87-71435997877
CN1C=C(C=N1)C(CC(=O)OC)C2=C(C(=O)C=C(O2)CSC3=CC=CC(=C3)OC)O
InChI=1SC21H22N2O6Sc1231113(102223)17(919(25)283)2120(26)18(24)815(2921)12301664514(716)272h4810111726H912H213H3
methyl3(3hydroxy6(((3methoxyphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy6(((3methoxyphenyl)thio)methyl)4oxo4Hpyran2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy6((3methoxyphenyl)sulfanylmethyl)4oxopyran2yl)3(1methylpyrazol4yl)propanoate
MFCD23137671
ZINC000095477596
ZINC000095477597
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