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Screening compounds

Vismodegib (m4)

Also known as Vismodegib (m1)O-beta-D-glucopyranosiduronic acid, 2-Chloro-5-((2-chloro-4-(methylsulfonyl)benzoyl)amino)-3-(2-pyridinyl)phenyl-beta-D-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 2-chloro-5-((2-chloro-4-(methylsulfonyl)benzoyl)amino)-3-(2-pyridinyl)phenyl

CAS 1370525-65-7Formula C25H22Cl2N2O10SMolar mass 613.43 g/mol
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Vismodegib (m4) chemical structure, C25H22Cl2N2O10S, CAS 1370525-65-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1370525-65-7
Formula
C25H22Cl2N2O10S
Molar mass
613.43 g/mol
HS code
293499
Category
Screening compounds

What is Vismodegib (m4)?

Plain description, key identifiers and synonyms

Vismodegib (m4) is a chemical substance with the molecular formula C25H22Cl2N2O10S and a molar mass of 613.43 g/mol. Its CAS registry number is 1370525-65-7. The IUPAC name is (2S,3S,4S,5R,6S)-6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-pyridin-2-ylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6S)-6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-pyridin-2-ylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS number
1370525-65-7
Molecular formula
C25H22Cl2N2O10S
UNII
WZ69JBY3HM
InChIKey
YBRNGSGUIJXVLO-CZLVRFMKSA-N
InChI
InChI=1S/C25H22Cl2N2O10S/c1-40(36,37)12-5-6-13(15(26)10-12)23(33)29-11-8-14(16-4-2-3-7-28-16)18(27)17(9-11)38-25-21(32)19(30)20(31)22(39-25)24(34)35/h2-10,19-22,25,30-32H,1H3,(H,29,33)(H,34,35)/t19-,20-,21+,22-,25+/m0/s1
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)C4=CC=CC=N4)Cl

Synonyms

  • Vismodegib (m1)O-beta-D-glucopyranosiduronic acid
  • 2-Chloro-5-((2-chloro-4-(methylsulfonyl)benzoyl)amino)-3-(2-pyridinyl)phenyl-beta-D-glucopyranosiduronic acid
  • beta-D-Glucopyranosiduronic acid, 2-chloro-5-((2-chloro-4-(methylsulfonyl)benzoyl)amino)-3-(2-pyridinyl)phenyl

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
613.43 g/molcalc.
Exact mass
612.0372 Dacalc.
LogP (octanol/water)
1.98calc.
Topological polar surface area
192.6 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
40calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C(Nc1cc(OC2CCCCO2)cc(-c2ccccn2)c1)c1ccccc1

O=C(Nc1cc(OC2CCCCO2)cc(-c2ccccn2)c1)c1ccccc1

4 rings, 28 atoms.

No other chemical in our database has 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.

Vismodegib (m4) suppliers

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Vismodegib (m4) price

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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 Vismodegib (m4) 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 Vismodegib (m4) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vismodegib (m4), based on the data on this page

What is Vismodegib (m4)?

Vismodegib (m4) is a chemical substance with the molecular formula C25H22Cl2N2O10S and a molar mass of 613.43 g/mol. Its CAS registry number is 1370525-65-7. The IUPAC name is (2S,3S,4S,5R,6S)-6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-pyridin-2-ylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the CAS number of Vismodegib (m4)?

The CAS registry number of Vismodegib (m4) is 1370525-65-7.

What is the molecular formula and weight of Vismodegib (m4)?

The molecular formula of Vismodegib (m4) is C25H22Cl2N2O10S and its molar mass is 613.43 g/mol.

What is Vismodegib (m4) used for?

Known uses and roles of Vismodegib (m4) include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Vismodegib (m4) hazardous?

No GHS hazard classification for Vismodegib (m4) 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 Vismodegib (m4)?

Vismodegib (m4) 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 Vismodegib (m4)?

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What is the price of Vismodegib (m4)?

Suppliers quote Vismodegib (m4) 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

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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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