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methyl 2-({6-acetyl-7-[(1E)-2-(dimethylamino)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate



Compound number:
MolPort-023-274-080
CAS number: 1374510-84-5
IUPAC:
methyl 2-({6-acetyl-7-[(1E)-2-(dimethylamino)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
IUPAC traditional:
methyl 2-({6-acetyl-7-[(1E)-2-(dimethylamino)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
SMILES:
COC(=O)CSc1nc2ncc(C(C)=O)c(\C=C\N(C)C)n2n1
InChI key:
LLXKVQDGPBVYRQ-AATRIKPKSA-N
Molecular formula:
C14H17N5O3S
Molecular weight: 335.38
Solubility: not available

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Catalog: Screening compound Ships out: 7 business days Purity: >90%
Last updated: today In warehouse: 32.00 mg
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3 micromol December 10, 2021 63.60 USD
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5 micromol December 10, 2021 63.60 USD
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10 micromol December 10, 2021 63.60 USD
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Catalog: Screening compound Ships out: 9 business days Purity: >90%
Last updated: today In warehouse: 40.00 mg
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2 mg December 14, 2021 31.93 USD
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3 micromol December 14, 2021 30.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: n/a
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More Information

Compound Identifiers
Compound number: MolPort-023-274-080
CAS number: 1374510-84-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000072406618
Methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}thio)acetate
[6-Acetyl-7-(2-dimethylamino-vinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl]-acetic acid methyl ester
acetic acid, [[6-acetyl-7-[(E)-2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-, methyl ester
methyl ({6-acetyl-7-[(E)-2-(dimethylamino)vinyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}thio)acetate
MFCD22374870

InChI
InChI: 1S/C14H17N5O3S/c1-9(20)10-7-15-13-16-14(23-8-12(21)22-4)17-19(13)11(10)5-6-18(2)3/h5-7H,8H2,1-4H3/b6-5+
InChI key: LLXKVQDGPBVYRQ-AATRIKPKSA-N

Calculated Properties
Molecular formula: C14H17N5O3S
Molecular weight: 335.38

Scaffolds

Other

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