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Heterocyclic building blocks

Metomidate, (S)-

Also known as (S)-Metomidate, (-)-Metomidate, Metomidate, (-)-

CAS 61045-95-2Formula C13H14N2O2Molar mass 230.27 g/mol
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Metomidate, (S)- chemical structure, C13H14N2O2, CAS 61045-95-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61045-95-2
Formula
C13H14N2O2
Molar mass
230.27 g/mol
HS code
293329
Category
Heterocyclic building blocks

What is Metomidate, (S)-?

Plain description, key identifiers and synonyms

Metomidate, (S)- is a chemical substance with the molecular formula C13H14N2O2 and a molar mass of 230.27 g/mol. Its CAS registry number is 61045-95-2. The IUPAC name is methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate
CAS number
61045-95-2 CAS number cross-checked
Molecular formula
C13H14N2O2
UNII
97TR88HUC3
InChIKey
FHFZEKYDSVTYLL-JTQLQIEISA-N
InChI
InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3/t10-/m0/s1
Canonical SMILES
COC(=O)c1cncn1C(C)c1ccccc1
Isomeric SMILES
C[C@@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OC

Synonyms

  • (S)-Metomidate
  • (-)-Metomidate
  • Metomidate, (-)-
  • 1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, methyl ester
  • 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester, (S)-
  • methyl 1-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxylate

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
230.27 g/molcalc.
Exact mass
230.1055 Dacalc.
LogP (octanol/water)
2.28calc.
Topological polar surface area
44.12 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.23calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(Cn2ccnc2)cc1

c1ccc(Cn2ccnc2)cc1

2 rings, 12 atoms, the 1-Benzylimidazole ring system.

1,214 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Metomidate, (S)- suppliers

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Metomidate, (S)- 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 Metomidate, (S)- is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Metomidate, (S)-, based on the data on this page

What is Metomidate, (S)-?

Metomidate, (S)- is a chemical substance with the molecular formula C13H14N2O2 and a molar mass of 230.27 g/mol. Its CAS registry number is 61045-95-2. The IUPAC name is methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate.

What is the CAS number of Metomidate, (S)-?

The CAS registry number of Metomidate, (S)- is 61045-95-2.

What is the molecular formula and weight of Metomidate, (S)-?

The molecular formula of Metomidate, (S)- is C13H14N2O2 and its molar mass is 230.27 g/mol.

What is Metomidate, (S)- used for?

Known uses and roles of Metomidate, (S)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Metomidate, (S)- hazardous?

No GHS hazard classification for Metomidate, (S)- is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Metomidate, (S)-?

Metomidate, (S)- is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Metomidate, (S)-?

Post a free request on CompoundList and suppliers of Metomidate, (S)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Metomidate, (S)-?

Suppliers quote Metomidate, (S)- 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 Metomidate, (S)-

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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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