2-[(4-chlorophenyl)sulfanyl]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethan-1-one

Compound number:
MolPort-005-610-003
IUPAC:
2-[(4-chlorophenyl)sulfanyl]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethan-1-one
IUPAC traditional:
2-[(4-chlorophenyl)sulfanyl]-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
SMILES:
Clc1ccc(SCC(=O)N2CCCC2c2ccc3OCCCOc3c2)cc1
InChI key:
VDCCOXJAHNRDSN-UHFFFAOYSA-N
Molecular formula:
C21H22ClNO3S
Molecular weight: 403.92
Solubility: not available
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 12 business days Purity: >90%
Last updated: today In warehouse: 402.30 mg
Pack size Ships out Price Qty
1 mg December 6, 2019 55.00 USD
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2 mg December 6, 2019 56.00 USD
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5 mg December 6, 2019 59.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-005-610-003

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C21H22ClNO3S/c22-16-5-7-17(8-6-16)27-14-21(24)23-10-1-3-18(23)15-4-9-19-20(13-15)26-12-2-11-25-19/h4-9,13,18H,1-3,10-12,14H2
InChI key: VDCCOXJAHNRDSN-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C21H22ClNO3S
Molecular weight: 403.92

Other

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2019 MolPort, v3.28, release date 17-11-2019 13:00 (+0200). All rights reserved.
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