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Heterocyclic building blocks

Smer3

Also known as SMER 3, 9H-Indeno[1,2-b][1,2,5]oxadiazolo[3,4-E]pyrazin-9-one, 9H-Indeno[1,2-e][1,2,5]oxadiazolo[3,4-b]pyrazin-9-one

CAS 67200-34-4Formula C11H4N4O2Molar mass 224.18 g/molEC 684-731-6
GHS signal word: Warning. Pictograms: Harmful or irritant 6 suppliers listed
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Smer3 chemical structure, C11H4N4O2, CAS 67200-34-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67200-34-4
Formula
C11H4N4O2
Molar mass
224.18 g/mol
EC number
684-731-6
HS code
293499
Category
Heterocyclic building blocks

What is Smer3?

Plain description, key identifiers and synonyms

LSM-42773 is an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
CAS number
67200-34-4 CAS number cross-checked
EC number
684-731-6
Molecular formula
C11H4N4O2
MDL number
MFCD00451458
InChIKey
SFSSAKVWCKFRHE-UHFFFAOYSA-N
InChI
InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O

Synonyms

  • SMER 3
  • 9H-Indeno[1,2-b][1,2,5]oxadiazolo[3,4-E]pyrazin-9-one
  • 9H-Indeno[1,2-e][1,2,5]oxadiazolo[3,4-b]pyrazin-9-one
  • 9H-Indeno-[1,2-e]-[1,2,5]-oxadiazolo-[3,4-b]-pyrazin-9-one
  • Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one
  • US9073941, 28
  • 13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
  • indeno[2,3-b]1,2,5-oxadiazolo[3,4-e]pyrazin-5-one
  • 13-oxa-10,12,14,16-tetraazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
  • SMER3(SMER 3)
  • SMER3, >=98% (HPLC)
  • Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one,
  • US9073941, 30
  • 9H-Indeno[1,2-b][1,2,5]oxadiazolo[3,4-E]pyrazin-9-one #
  • ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]a

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
224.18 g/molcalc.
Exact mass
224.0334 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
81.77 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
17calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1c2ccccc2-c2nc3nonc3nc21

O=C1c2ccccc2-c2nc3nonc3nc21

4 rings, 17 atoms. This chemical is the scaffold itself.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Smer3 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers
6 of 6 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 3 countries

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Smer3 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Smer3 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Smer3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Smer3, based on the data on this page

What is Smer3?

LSM-42773 is an aromatic ketone.

What is the CAS number of Smer3?

The CAS registry number of Smer3 is 67200-34-4.

What is the molecular formula and weight of Smer3?

The molecular formula of Smer3 is C11H4N4O2 and its molar mass is 224.18 g/mol.

What is Smer3 used for?

Known uses and roles of Smer3 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Smer3 hazardous?

Smer3 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Smer3?

Smer3 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Smer3?

CompoundList lists 6 suppliers of Smer3 in United States, China and Singapore. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Smer3?

Suppliers quote Smer3 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Smer3

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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