Vitas-M small molecule compound

methyl 3-(furan-2-yl)-3-(3-hydroxy-6-{[(4-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)propanoate

Catalog ID
STL539506
SMILES COC(=O)CC(c1oc(CSc2ccc(cc2)OC)cc(=O)c1O)c1ccco1

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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 C21H20O7S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O7S/c1-25-13-5-7-15(8-6-13)29-12-14-10-17(22)20(24)21(28-14)16(11-19(23)26-2)18-4-3-9-27-18/h3-10,16,24H,11-12H2,1-2H3
InChIKey
QEHPDPUQVFIREV-UHFFFAOYSA-N
Synonyms
1574478-32-2
1574478322
71825775
InChI=1SC21H20O7Sc125135715(8613)2912141017(22)20(24)21(2814)16(1119(23)262)184392718h3101624H1112H212H3
methyl3(furan2yl)3(3hydroxy6(((4methoxyphenyl)sulfanyl)methyl)4oxo4Hpyran2yl)propanoate
METHYL3(FURAN2YL)3(3HYDROXY6(((4METHOXYPHENYL)THIO)METHYL)4OXO4HPYRAN2YL)PROPANOATE
methyl3(furan2yl)3(3hydroxy6((4methoxyphenyl)sulfanylmethyl)4oxopyran2yl)propanoate
MFCD28051896
ZINC000096116169
ZINC000096116170

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.