2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Compound number:
MolPort-003-000-040
IUPAC:
2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
IUPAC traditional:
2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES:
Cc1ccc(NC(=O)Cc2nnc(SCC(N)=O)n2CC=C)cc1C
InChI key:
BZHNOILKZWWACL-UHFFFAOYSA-N
Molecular formula:
C17H21N5O2S
Molecular weight: 359.45
Solubility: not available

Marketplace Offers

S&H to USA: 130.00 USD
S&H to World: 130.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: >90%
Last updated: today In warehouse: 167.00 mg
Pack size Ships out Price Qty
1 mg March 13, 2020 30.22 USD
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2 mg March 13, 2020 31.93 USD
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3 mg March 13, 2020 35.35 USD
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S&H to USA: 45.00 USD
S&H to World: 85.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: 90%
Last updated: 3 months ago In warehouse: 50.00 mg
Pack size Ships out Price Qty
5 micromol March 10, 2020 34.00 USD
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1 mg March 10, 2020 32.00 USD
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5 mg March 10, 2020 38.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-000-040

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000008785560
MFCD09875877
2-{4-allyl-5-[(2-amino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide
2-{4-allyl-5-(2-amino-2-oxoethyl)sulfanyl-4H-,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide
2-{4-allyl-5-[(2-amino-2-oxoethyl)thio]-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide
2-{4-Allyl-5-[(3,4-dimethyl-phenylcarbamoyl)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
2-{5-[(2-amino-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-N-(3,4-dimethylphenyl)acetamide
2-[(5-{[(3,4-dimethylphenyl)carbamoyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

InChI
InChI: 1S/C17H21N5O2S/c1-4-7-22-15(20-21-17(22)25-10-14(18)23)9-16(24)19-13-6-5-11(2)12(3)8-13/h4-6,8H,1,7,9-10H2,2-3H3,(H2,18,23)(H,19,24)
InChI key: BZHNOILKZWWACL-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C17H21N5O2S
Molecular weight: 359.45

Other

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2020 MolPort, v3.5, release date 34-02-2020 17:00 (+0200). All rights reserved.
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