Vitas-M small molecule compound
methyl 3-(6-{[(2-chlorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate
Catalog ID
STL311206
SMILES COC(=O)CC(c1oc(CSc2ccccc2Cl)cc(=O)c1O)c1ccc(cc1)O
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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 C22H19ClO6S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClO6S/c1-28-20(26)11-16(13-6-8-14(24)9-7-13)22-21(27)18(25)10-15(29-22)12-30-19-5-3-2-4-17(19)23/h2-10,16,24,27H,11-12H2,1H3InChIKey
CSBAVUKGVUODGZ-UHFFFAOYSA-NSynonyms
1574472-41-51574472415
COC(=O)CC(C1=CC=C(C=C1)O)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3Cl)O
InChI=1SC22H19ClO6Sc12820(26)1116(136814(24)9713)2221(27)18(25)1015(2922)123019532417(19)23h210162427H1112H21H3
methyl3(6(((2chlorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(6(((2chlorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(4hydroxyphenyl)propanoate
methyl3(6((2chlorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(4hydroxyphenyl)propanoate
MFCD28025970
ZINC000095473893
ZINC000095473894
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