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Methyl 1-methyl-5-nitro-1H-pyrrole-2-carboxylate - ≥95%, high purity , CAS No.13138-75-5

COA COA
    Grade & Purity:
  • ≥95%
In stock
Item Number
M727956
Grouped product items
SKU Size
Availability
 Price Qty
M727956-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$427.90
M727956-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$850.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Specifications & Purity ≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic 1,3-dipolar compounds
Class Allyl-type 1,3-dipolar organic compounds
Subclass Organic nitro compounds
Intermediate Tree Nodes C-nitro compounds
Direct Parent Nitroaromatic compounds
Alternative Parents Pyrrole carboxylic acids and derivatives  N-methylpyrroles  Methyl esters  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Nitroaromatic compound - Pyrrole-2-carboxylic acid or derivatives - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors Not available

Associated Targets(Human)

Raji (5516 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Human alphaherpesvirus 2 (4932 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vaccinia virus (4609 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human alphaherpesvirus 1 (11089 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Semliki Forest virus (705 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sindbis virus (1599 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vesicular stomatitis virus (4460 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FM3A (1296 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L1210 (27553 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vero (26788 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name methyl 1-methyl-5-nitropyrrole-2-carboxylate
INCHI InChI=1S/C7H8N2O4/c1-8-5(7(10)13-2)3-4-6(8)9(11)12/h3-4H,1-2H3
InChIKey XTRZUZWXTWKINM-UHFFFAOYSA-N
Smiles CN1C(=CC=C1[N+](=O)[O-])C(=O)OC
Isomeric SMILES CN1C(=CC=C1[N+](=O)[O-])C(=O)OC
Alternate CAS 13138-75-5
PubChem CID 14487173

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 184.150 g/mol
XLogP3 1.000
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 184.048 Da
Monoisotopic Mass 184.048 Da
Topological Polar Surface Area 77.100 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 225.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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