Organoheterocyclic compounds
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Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 97%
CAS: 171364-80-0 Molecular Formula: C14H19BO4 Molecular Weight (g/mol): 262.11 MDL Number: MFCD02179438 InChI Key: REIZEQZILPXYKS-UHFFFAOYSA-N Synonym: methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,4-methoxycarbonylphenylboronic acid pinacol ester,4-methoxycarbonylphenylboronic acid pinacolate,4-carbomethoxyphenylboronic acid pinacol ester,4-methoxycarbonylphenylboronic acid, pinacol ester,4-methoxycarbonyl phenylboronic acid pinacol ester,methyl 4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzoic acid methyl ester,4-methoxycarbonyl benzeneboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid methyl ester PubChem CID: 2773500 IUPAC Name: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2773500 |
|---|---|
| CAS | 171364-80-0 |
| Molecular Weight (g/mol) | 262.11 |
| MDL Number | MFCD02179438 |
| SMILES | COC(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,4-methoxycarbonylphenylboronic acid pinacol ester,4-methoxycarbonylphenylboronic acid pinacolate,4-carbomethoxyphenylboronic acid pinacol ester,4-methoxycarbonylphenylboronic acid, pinacol ester,4-methoxycarbonyl phenylboronic acid pinacol ester,methyl 4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzoic acid methyl ester,4-methoxycarbonyl benzeneboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid methyl ester |
| IUPAC Name | methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI Key | REIZEQZILPXYKS-UHFFFAOYSA-N |
| Molecular Formula | C14H19BO4 |
3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%
CAS: 17147-85-2 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD03422293 InChI Key: RSWFHHWVFZWIMV-UHFFFAOYSA-N Synonym: 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci PubChem CID: 2063310 IUPAC Name: 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CCC1=NOC(=C1C(=O)O)C
| PubChem CID | 2063310 |
|---|---|
| CAS | 17147-85-2 |
| Molecular Weight (g/mol) | 155.153 |
| MDL Number | MFCD03422293 |
| SMILES | CCC1=NOC(=C1C(=O)O)C |
| Synonym | 3-ethyl-5-methylisoxazole-4-carboxylic acid,3-ethyl-5-methyl-isoxazole-4-carboxylic acid,3-ethyl-5-methyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl,acmc-1c8pz,4-isoxazolecarboxylicacid,3-ethyl-5-methyl,4-isoxazolecarboxylicacid, 3-ethyl-5-methyl,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-8ci,9ci |
| IUPAC Name | 3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | RSWFHHWVFZWIMV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3 |
3,3-Dimethylglutaric anhydride, 97%
CAS: 4160-82-1 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00006684 InChI Key: HIJQFTSZBHDYKW-UHFFFAOYSA-N Synonym: 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride PubChem CID: 77813 IUPAC Name: 4,4-dimethyloxane-2,6-dione SMILES: CC1(CC(=O)OC(=O)C1)C
| PubChem CID | 77813 |
|---|---|
| CAS | 4160-82-1 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00006684 |
| SMILES | CC1(CC(=O)OC(=O)C1)C |
| Synonym | 3,3-dimethylglutaric anhydride,2h-pyran-2,6 3h-dione, dihydro-4,4-dimethyl,4,4-dimethyldihydro-2h-pyran-2,6 3h-dione,glutaric anhydride, 3,3-dimethyl,3,3-dimethylglutaricanhydride,glutaric anhydride, beta,beta-dimethyl,acmc-1adve,dihydro-4,4-dimethyl-2h-pyran-2,6 3h-dione,3,3-dimethyladipic anhydride,3,3 dimethylglutaric anhydride |
| IUPAC Name | 4,4-dimethyloxane-2,6-dione |
| InChI Key | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Povidone-Iodine, USP, 9-12%, Spectrum™ Chemical
CAS: 25655-41-8 Molecular Formula: (C6H9NO)nI2 Molecular Weight (g/mol): 364.95 MDL Number: MFCD00084483 InChI Key: CPKVUHPKYQGHMW-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one; diiodine SMILES: II.*-CC(-*)N1CCCC1=O
| CAS | 25655-41-8 |
|---|---|
| Molecular Weight (g/mol) | 364.95 |
| MDL Number | MFCD00084483 |
| SMILES | II.*-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one; diiodine |
| InChI Key | CPKVUHPKYQGHMW-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)nI2 |
4-Methyl-5-thiazoleethanol, 98%
CAS: 137-00-8 Molecular Formula: C6H9NOS Molecular Weight (g/mol): 143.21 MDL Number: MFCD00005339 InChI Key: BKAWJIRCKVUVED-UHFFFAOYSA-N Synonym: 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol PubChem CID: 1136 ChEBI: CHEBI:17957 IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethanol SMILES: CC1=C(SC=N1)CCO
| PubChem CID | 1136 |
|---|---|
| CAS | 137-00-8 |
| Molecular Weight (g/mol) | 143.21 |
| ChEBI | CHEBI:17957 |
| MDL Number | MFCD00005339 |
| SMILES | CC1=C(SC=N1)CCO |
| Synonym | 4-methyl-5-thiazoleethanol,sulfurol,5-2-hydroxyethyl-4-methylthiazole,hemineurine,2-4-methylthiazol-5-yl ethanol,4-methyl-5-thiazolethanol,5-thiazoleethanol, 4-methyl,2-4-methyl-1,3-thiazol-5-yl ethanol,4-methyl-5-hydroxyethylthiazole,2-4-methyl-1,3-thiazol-5-yl ethan-1-ol |
| IUPAC Name | 2-(4-methyl-1,3-thiazol-5-yl)ethanol |
| InChI Key | BKAWJIRCKVUVED-UHFFFAOYSA-N |
| Molecular Formula | C6H9NOS |
2,5-Dichloropyridine, 98%
CAS: 16110-09-1 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.99 MDL Number: MFCD00006239 InChI Key: GCTFDMFLLBCLPF-UHFFFAOYSA-N Synonym: pyridine, 2,5-dichloro,2,5-dichloro-pyridine,2,5-dichloro pyridine,ccris 1718,2,5-dichlorpyridin,2,5-dichloropyridin,2,5-dichioropyridine,2.5-dichloropyridine,pubchem1199,2,5 dichloropyridine PubChem CID: 27685 IUPAC Name: 2,5-dichloropyridine SMILES: ClC1=CC=C(Cl)N=C1
| PubChem CID | 27685 |
|---|---|
| CAS | 16110-09-1 |
| Molecular Weight (g/mol) | 147.99 |
| MDL Number | MFCD00006239 |
| SMILES | ClC1=CC=C(Cl)N=C1 |
| Synonym | pyridine, 2,5-dichloro,2,5-dichloro-pyridine,2,5-dichloro pyridine,ccris 1718,2,5-dichlorpyridin,2,5-dichloropyridin,2,5-dichioropyridine,2.5-dichloropyridine,pubchem1199,2,5 dichloropyridine |
| IUPAC Name | 2,5-dichloropyridine |
| InChI Key | GCTFDMFLLBCLPF-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2N |
Tetrahydro-4H-thiopyran-4-one, 99%
CAS: 1072-72-6 Molecular Formula: C5H8OS Molecular Weight (g/mol): 116.18 MDL Number: MFCD00006660 InChI Key: OVRJVKCZJCNSOW-UHFFFAOYSA-N Synonym: tetrahydrothiopyran-4-one,tetrahydro-4h-thiopyran-4-one,4-oxothiane,4-thiacyclohexanone,penthianone,4h-thiopyran-4-one, tetrahydro,1-thiacyclohexan-4-one,dihydro-2h-thiopyran-4 3h-one,4-oxotetrahydrothiopyran,tetrahydro-4-thiopyrone PubChem CID: 66173 IUPAC Name: thian-4-one SMILES: O=C1CCSCC1
| PubChem CID | 66173 |
|---|---|
| CAS | 1072-72-6 |
| Molecular Weight (g/mol) | 116.18 |
| MDL Number | MFCD00006660 |
| SMILES | O=C1CCSCC1 |
| Synonym | tetrahydrothiopyran-4-one,tetrahydro-4h-thiopyran-4-one,4-oxothiane,4-thiacyclohexanone,penthianone,4h-thiopyran-4-one, tetrahydro,1-thiacyclohexan-4-one,dihydro-2h-thiopyran-4 3h-one,4-oxotetrahydrothiopyran,tetrahydro-4-thiopyrone |
| IUPAC Name | thian-4-one |
| InChI Key | OVRJVKCZJCNSOW-UHFFFAOYSA-N |
| Molecular Formula | C5H8OS |
2-(Aminomethyl)pyridine, 98+%
CAS: 3731-51-9 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006360 InChI Key: WOXFMYVTSLAQMO-UHFFFAOYSA-N Synonym: 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl PubChem CID: 19509 ChEBI: CHEBI:81387 SMILES: NCC1=CC=CC=N1
| PubChem CID | 19509 |
|---|---|
| CAS | 3731-51-9 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:81387 |
| MDL Number | MFCD00006360 |
| SMILES | NCC1=CC=CC=N1 |
| Synonym | 2-picolylamine,2-aminomethyl pyridine,2-pyridinemethanamine,2-aminomethylpyridine,2-pyridinemethylamine,2-pyridylmethylamine,2-picolinamine,2-pyridinemethaneamine,2-pyridylmethyl amine,pyridine, 2-aminomethyl |
| InChI Key | WOXFMYVTSLAQMO-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2,6-Dichloropyridine-4-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 5398-44-7 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192.00 MDL Number: MFCD00234147 InChI Key: SQSYNRCXIZHKAI-UHFFFAOYSA-N Synonym: 2,6-dichloroisonicotinic acid,2,6-dichloro-isonicotinic acid,2,6-dichloro-4-pyridinecarboxylic acid,4-pyridinecarboxylic acid, 2,6-dichloro,2,6-dichloroisonicotinicacid,2,6-dichloro-4-pyridinyl carboxylic acid,pyridine-4-carboxylic acid, 2,6-dichloro,2,6-dichlorisonicotins,enamine_005327,zlchem 403 PubChem CID: 94830 ChEBI: CHEBI:73179 IUPAC Name: 2,6-dichloropyridine-4-carboxylic acid SMILES: OC(=O)C1=CC(Cl)=NC(Cl)=C1
| PubChem CID | 94830 |
|---|---|
| CAS | 5398-44-7 |
| Molecular Weight (g/mol) | 192.00 |
| ChEBI | CHEBI:73179 |
| MDL Number | MFCD00234147 |
| SMILES | OC(=O)C1=CC(Cl)=NC(Cl)=C1 |
| Synonym | 2,6-dichloroisonicotinic acid,2,6-dichloro-isonicotinic acid,2,6-dichloro-4-pyridinecarboxylic acid,4-pyridinecarboxylic acid, 2,6-dichloro,2,6-dichloroisonicotinicacid,2,6-dichloro-4-pyridinyl carboxylic acid,pyridine-4-carboxylic acid, 2,6-dichloro,2,6-dichlorisonicotins,enamine_005327,zlchem 403 |
| IUPAC Name | 2,6-dichloropyridine-4-carboxylic acid |
| InChI Key | SQSYNRCXIZHKAI-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2NO2 |
gamma-Valerolactone, 98%
CAS: 108-29-2 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00005400 InChI Key: GAEKPEKOJKCEMS-UHFFFAOYSA-N Synonym: gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 PubChem CID: 7921 ChEBI: CHEBI:48569 IUPAC Name: 5-methyloxolan-2-one SMILES: CC1CCC(=O)O1
| PubChem CID | 7921 |
|---|---|
| CAS | 108-29-2 |
| Molecular Weight (g/mol) | 100.117 |
| ChEBI | CHEBI:48569 |
| MDL Number | MFCD00005400 |
| SMILES | CC1CCC(=O)O1 |
| Synonym | gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 |
| IUPAC Name | 5-methyloxolan-2-one |
| InChI Key | GAEKPEKOJKCEMS-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Orcinol, 99.6%, MP Biomedicals™
CAS: 63939-65-1 Molecular Formula: C11H19IN2O Molecular Weight (g/mol): 322.19 InChI Key: VVLMSCJCXMBGDI-UHFFFAOYSA-M Synonym: oxotremorine m,oxotremorine-m,3h oxotremorine-m,n,n,n-trimethyl-4-2-oxopyrrolidin-1-yl but-2-yn-1-aminium,trimethyl-4-2-oxopyrrolidin-1-yl but-2-ynyl azanium,n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl-2-butyn-1-aminium,2-butyn-1-aminium, n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl,chembl23957,spectrum_001982,tocris-1067 PubChem CID: 3027782 IUPAC Name: trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium;iodide SMILES: C[N+](C)(C)CC#CCN1CCCC1=O.[I-]
| PubChem CID | 3027782 |
|---|---|
| CAS | 63939-65-1 |
| Molecular Weight (g/mol) | 322.19 |
| SMILES | C[N+](C)(C)CC#CCN1CCCC1=O.[I-] |
| Synonym | oxotremorine m,oxotremorine-m,3h oxotremorine-m,n,n,n-trimethyl-4-2-oxopyrrolidin-1-yl but-2-yn-1-aminium,trimethyl-4-2-oxopyrrolidin-1-yl but-2-ynyl azanium,n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl-2-butyn-1-aminium,2-butyn-1-aminium, n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl,chembl23957,spectrum_001982,tocris-1067 |
| IUPAC Name | trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium;iodide |
| InChI Key | VVLMSCJCXMBGDI-UHFFFAOYSA-M |
| Molecular Formula | C11H19IN2O |
Phenazine, 99.2%, MP Biomedicals™
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
| PubChem CID | 4757 |
|---|---|
| CAS | 92-82-0 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36674 |
| SMILES | C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 |
| Synonym | dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs |
| IUPAC Name | phenazine |
| InChI Key | PCNDJXKNXGMECE-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
5-Fluorouracil, ∽99%, MP Biomedicals™
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
Indole-3-acetic acid, 99.2%, MP Biomedicals™
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
| PubChem CID | 802 |
|---|---|
| CAS | 87-51-4 |
| Molecular Weight (g/mol) | 175.19 |
| ChEBI | CHEBI:16411 |
| MDL Number | MFCD00005636 |
| SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
| Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
| IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
| InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Povidone K-30, USP, Spectrum™ Chemical
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |