(1S,5R)-6-(3-methylbut-2-en-1-yl)-3-[3-(1H-1,2,3,4-tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-7-one

Compound number
MolPort-027-820-096
IUPAC
(1S,5R)-6-(3-methylbut-2-en-1-yl)-3-[3-(1H-1,2,3,4-tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
IUPAC traditional
(1S,5R)-6-(3-methylbut-2-en-1-yl)-3-[3-(1,2,3,4-tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILES
CC(C)=CCN1[C@@H]2CC[C@@H](CN(C2)C(=O)c2c[nH]nc2-n2cnnn2)C1=O |r,wD:6.5,9.27,(2.15,-4.16,;1.31,-5.45,;-.23,-5.37,;2.01,-6.81,;3.55,-6.88,;4.27,-8.27,;3.33,-9.49,;4.41,-10.57,;5.7,-10.52,;6.79,-9.42,;6.48,-10.92,;5.11,-11.62,;3.71,-10.99,;5.15,-13.15,;3.81,-13.92,;6.49,-13.95,;7.9,-13.32,;8.94,-14.45,;8.16,-15.79,;6.65,-15.48,;5.67,-16.67,;4.13,-16.53,;3.5,-17.96,;4.67,-18.96,;6.01,-18.17,;5.81,-8.24,;6.48,-6.84,)|
InChI key
QNNDFJZYKOXVLN-QWHCGFSZSA-N
Molecular formula
Molecular weight
370.417
DMSO Solubility
soluble

Marketplace Offers

ChemBridge Corporation

Direct S&H to USA:
45.00 USD
Catalog
Screening compound
Ships out
20 business days
Purity
90.00
Last updated
today
In warehouse
10.00 mg
Salt: FREE

Supplier Catalogue Data

Pack size Ships out Price Quantity
5 micromol October 27, 2022 50.00 USD
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1 mg October 27, 2022 44.00 USD
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5 mg October 27, 2022 55.00 USD
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More Information

Compound identifiers

Compound number
MolPort-027-820-096

Names, Synonyms and 3rd Party Identifiers

Name
(1S*,5R*)-6-(3-methyl-2-buten-1-yl)-3-{[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3,6-diazabicyclo[3.2.2]nonan-7-one

InChI

InChI
1/C17H22N8O2/c1-11(2)5-6-24-13-4-3-12(16(24)26)8-23(9-13)17(27)14-7-18-20-15(14)25-10-19-21-22-25/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,18,20)/t12-,13+/m0/s1
InChI key
QNNDFJZYKOXVLN-QWHCGFSZSA-N

Formula

Molecular formula
C17H22N8O2
Molecular weight
370.417

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