methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-[1-(1,1-dioxo-1λ⁶-thiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate

Compound number:
MolPort-039-060-045
IUPAC:
methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-[1-(1,1-dioxo-1λ⁶-thiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate
IUPAC traditional:
methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxopyridin-3-yl}-3-[1-(1,1-dioxo-1λ⁶-thiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILES:
COC(=O)CC(c1c(C)nn(C2CCS(=O)(=O)C2)c1C)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O
InChI key:
FEGOZZSRCBJADM-UHFFFAOYSA-N
Molecular formula:
C27H33N3O8S
Molecular weight: 559.63
Solubility: not available
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S&H to USA: 140.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: 92 - 98%
Last updated: this week In warehouse: 300.00 mg
Pack size Ships out Price Qty
3 micromol January 31, 2020 40.00 USD
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5 micromol January 31, 2020 44.00 USD
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10 micromol January 31, 2020 75.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-060-045

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000253400849
ZINC000253400851
ZINC000253400853
ZINC000253400854
methyl 3-(1-(3,4-dihydroxyphenethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)propanoate

InChI
InChI: 1S/C27H33N3O8S/c1-15-11-23(33)26(27(35)29(15)9-7-18-5-6-21(31)22(32)12-18)20(13-24(34)38-4)25-16(2)28-30(17(25)3)19-8-10-39(36,37)14-19/h5-6,11-12,19-20,31-33H,7-10,13-14H2,1-4H3
InChI key: FEGOZZSRCBJADM-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C27H33N3O8S
Molecular weight: 559.63

Other

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Compound Solubility
2019 MolPort, v3.32, release date 27-12-2019 14:00 (+0200). All rights reserved.
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