MNITMT - ≥98% , CAS No.177653-76-8

CAS: 177653-76-8 Cat. No.: M287075 Peso molecular: 240.24

COA

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MNITMT - ≥98% CAS No(177653-76-8) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

NSC 631156 | 4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-4H-1,2,4-triazole | 4-methyl-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-4H-1,2,4-triazole

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

NSC 631156 | 4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-4H-1, 2, 4-triazole | 4-methyl-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-4H-1, 2, 4-triazole

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Novel, non-toxic immunosuppressive agent. Inhibits human mixed lymphocyte reactionin vitro(ED50= 2.7μM) and prolongs skin graft survival in mice. Produces a 98.1% reduction in antibody response following oral administration in rabbits.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	504758593
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758593
Sonrisas canónicas	CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]
IUPAC Name	4-methyl-3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole
InChIKey	NMBDIMPYACLUDE-UHFFFAOYSA-N
INCHI	1S/C7H8N6O2S/c1-11-3-8-5(13(14)15)6(11)16-7-10-9-4-12(7)2/h3-4H,1-2H3
Isómeros SMILES	CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]
Peso molecular	240.24
Reaxy-Rn	7540105
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7540105&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Clase Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Clase	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylthioethers
Alternative Parents	Nitroimidazoles Nitroaromatic compounds N-substituted imidazoles Imidolactams Triazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diarylthioether - Nitroaromatic compound - Nitroimidazole - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
H2202377	Certificate of Analysis	May 12, 2025	M287075
H2202380	Certificate of Analysis	May 12, 2025	M287075
H2202381	Certificate of Analysis	May 12, 2025	M287075
H2202385	Certificate of Analysis	May 12, 2025	M287075
H2202433	Certificate of Analysis	May 12, 2025	M287075
L2419093	Certificate of Analysis	Jun 11, 2022	M287075

Solubilidad	Solvent:water, Max Conc. mg/mL: 2.4, Max Conc. mM: 10
Peso molecular	240.250 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	240.043 Da
Monoisotopic Mass	240.043 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	274.000
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