Vitas-M small molecule compound
4-[1-(3-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]benzoic acid
Catalog ID
STL539531
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)C)cc(=O)c1O)c1ccc(cc1)C(=O)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 C24H22O7S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22O7S/c1-14-3-9-18(10-4-14)32-13-17-11-20(25)22(27)23(31-17)19(12-21(26)30-2)15-5-7-16(8-6-15)24(28)29/h3-11,19,27H,12-13H2,1-2H3,(H,28,29)InChIKey
ISGNLDDLOIZWFC-UHFFFAOYSA-NSynonyms
1574480-84-41574480844
4(1(3HYDROXY4OXO6((PTOLYLTHIO)METHYL)4HPYRAN2YL)3METHOXY3OXOPROPYL)BENZOICACID
4(1(3hydroxy6(((4methylphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)3methoxy3oxopropyl)benzoicacid
4(1(3hydroxy6((4methylphenyl)sulfanylmethyl)4oxopyran2yl)3methoxy3oxopropyl)benzoicacid
71826213
InChI=1SC24H22O7Sc1143918(10414)3213171120(25)22(27)23(3117)19(1221(26)302)155716(8615)24(28)29h3111927H1213H212H3(H2829)
MFCD28051539
ZINC000096115483
ZINC000096115484
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