Organoheterocyclic compounds
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2,3,3-Trimethylindolenine, 98%
CAS: 1640-39-7 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00005724 InChI Key: FLHJIAFUWHPJRT-UHFFFAOYSA-N Synonym: 2,3,3-trimethylindolenine,2,3,3-trimethyl-3h-indole,3h-indole, 2,3,3-trimethyl,ccris 6607,2,3,3-trimethyl-indolenin,2,3,3-trimethyl-3-hydroindole,pubchem7445,rarechem ah bs 0130,2,3-trimethylindolenine,2,3,3-trimethyl-indole PubChem CID: 15427 IUPAC Name: 2,3,3-trimethylindole SMILES: CC1=NC2=CC=CC=C2C1(C)C
| PubChem CID | 15427 |
|---|---|
| CAS | 1640-39-7 |
| Molecular Weight (g/mol) | 159.232 |
| MDL Number | MFCD00005724 |
| SMILES | CC1=NC2=CC=CC=C2C1(C)C |
| Synonym | 2,3,3-trimethylindolenine,2,3,3-trimethyl-3h-indole,3h-indole, 2,3,3-trimethyl,ccris 6607,2,3,3-trimethyl-indolenin,2,3,3-trimethyl-3-hydroindole,pubchem7445,rarechem ah bs 0130,2,3-trimethylindolenine,2,3,3-trimethyl-indole |
| IUPAC Name | 2,3,3-trimethylindole |
| InChI Key | FLHJIAFUWHPJRT-UHFFFAOYSA-N |
| Molecular Formula | C11H13N |
Oxetane-3-carboxylic acid, 95%
CAS: 114012-41-8 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD08669505 InChI Key: UWOTZNQZPLAURK-UHFFFAOYSA-N Synonym: 3-oxetanecarboxylic acid,3-oxetanecarboxylicacid,acmc-20ahnr,oxetane-3-carboxylc acd,oxetane-3-carboxylicacid PubChem CID: 19847174 IUPAC Name: oxetane-3-carboxylic acid SMILES: C1C(CO1)C(=O)O
| PubChem CID | 19847174 |
|---|---|
| CAS | 114012-41-8 |
| Molecular Weight (g/mol) | 102.089 |
| MDL Number | MFCD08669505 |
| SMILES | C1C(CO1)C(=O)O |
| Synonym | 3-oxetanecarboxylic acid,3-oxetanecarboxylicacid,acmc-20ahnr,oxetane-3-carboxylc acd,oxetane-3-carboxylicacid |
| IUPAC Name | oxetane-3-carboxylic acid |
| InChI Key | UWOTZNQZPLAURK-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
Pyrimethamine, 100.5%, MP Biomedicals™
CAS: 58-14-0 Molecular Formula: C12H13ClN4 Molecular Weight (g/mol): 248.71 MDL Number: MFCD00057350 InChI Key: WKSAUQYGYAYLPV-UHFFFAOYSA-N Synonym: pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide PubChem CID: 4993 ChEBI: CHEBI:8673 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1
| PubChem CID | 4993 |
|---|---|
| CAS | 58-14-0 |
| Molecular Weight (g/mol) | 248.71 |
| ChEBI | CHEBI:8673 |
| MDL Number | MFCD00057350 |
| SMILES | CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 |
| Synonym | pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide |
| IUPAC Name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| InChI Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClN4 |
Imidazole, ≥99%, Molecular Biology Reagent, MP Biomedicals™
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
Ebselen, 99%
CAS: 60940-34-3 Molecular Formula: C13H9NOSe Molecular Weight (g/mol): 274.192 MDL Number: MFCD00210937 InChI Key: DYEFUKCXAQOFHX-UHFFFAOYSA-N Synonym: ebselen,2-phenyl-1,2-benzisoselenazol-3 2h-one,ebselene,ebseleno,ebselenum,ebselene french,ebselenum latin,ebselen inn,ebseleno spanish,harmokisane PubChem CID: 3194 ChEBI: CHEBI:77543 IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
| PubChem CID | 3194 |
|---|---|
| CAS | 60940-34-3 |
| Molecular Weight (g/mol) | 274.192 |
| ChEBI | CHEBI:77543 |
| MDL Number | MFCD00210937 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2 |
| Synonym | ebselen,2-phenyl-1,2-benzisoselenazol-3 2h-one,ebselene,ebseleno,ebselenum,ebselene french,ebselenum latin,ebselen inn,ebseleno spanish,harmokisane |
| IUPAC Name | 2-phenyl-1,2-benzoselenazol-3-one |
| InChI Key | DYEFUKCXAQOFHX-UHFFFAOYSA-N |
| Molecular Formula | C13H9NOSe |
Ethyl isonipecotate, 98%
CAS: 1126-09-6 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.21 MDL Number: MFCD00006003 InChI Key: RUJPPJYDHHAEEK-UHFFFAOYSA-N Synonym: ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine PubChem CID: 70770 IUPAC Name: ethyl piperidine-4-carboxylate SMILES: CCOC(=O)C1CCNCC1
| PubChem CID | 70770 |
|---|---|
| CAS | 1126-09-6 |
| Molecular Weight (g/mol) | 157.21 |
| MDL Number | MFCD00006003 |
| SMILES | CCOC(=O)C1CCNCC1 |
| Synonym | ethyl 4-piperidinecarboxylate,ethyl isonipecotate,piperidine-4-carboxylic acid ethyl ester,ethylpiperidine-4-carboxylate,4-piperidinecarboxylic acid, ethyl ester,isonipecotic acid ethyl ester,4-piperidinecarboxylic acid ethyl ester,4-carbethoxypiperidine,4-carboethoxypiperidine,4-ethoxycarbonyl piperidine |
| IUPAC Name | ethyl piperidine-4-carboxylate |
| InChI Key | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
2-Methyl-5-phenyl-3-furoic acid, 97%
CAS: 108124-17-0 Molecular Formula: C12H9O3 Molecular Weight (g/mol): 201.20 MDL Number: MFCD00221070 InChI Key: VLMNACSEESRUAK-UHFFFAOYSA-M Synonym: 2-methyl-5-phenyl-3-furoic acid,3-furancarboxylic acid, 2-methyl-5-phenyl,3-furancarboxylic acid,2-methyl-5-phenyl,acmc-1bptp,maybridge1_002369,cbmicro_037931,cambridge id 5930829,2-methyl-5-phenyl-3-furancarboxylic acid,2-methyl-5-phenyl-furan-3-carboxylic acid PubChem CID: 736516 SMILES: CC1=C(C=C(O1)C1=CC=CC=C1)C([O-])=O
| PubChem CID | 736516 |
|---|---|
| CAS | 108124-17-0 |
| Molecular Weight (g/mol) | 201.20 |
| MDL Number | MFCD00221070 |
| SMILES | CC1=C(C=C(O1)C1=CC=CC=C1)C([O-])=O |
| Synonym | 2-methyl-5-phenyl-3-furoic acid,3-furancarboxylic acid, 2-methyl-5-phenyl,3-furancarboxylic acid,2-methyl-5-phenyl,acmc-1bptp,maybridge1_002369,cbmicro_037931,cambridge id 5930829,2-methyl-5-phenyl-3-furancarboxylic acid,2-methyl-5-phenyl-furan-3-carboxylic acid |
| InChI Key | VLMNACSEESRUAK-UHFFFAOYSA-M |
| Molecular Formula | C12H9O3 |
5-Chlorothiophene-2-carboxaldehyde, 97%
CAS: 7283-96-7 Molecular Formula: C5H3ClOS Molecular Weight (g/mol): 146.59 MDL Number: MFCD00047090 InChI Key: VWYFITBWBRVBSW-UHFFFAOYSA-N Synonym: 5-chloro-2-thiophenecarboxaldehyde,2-chloro-5-thiophenecarboxaldehyde,5-chlorothiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 5-chloro,5-chloro-2-formylthiophene,2-chloro-5-formylthiophene,5-chlorothiophene-2-aldehyde,5-chloro-2-thiophenecarbaldehyde,5-chloro-2-thiophene-carboxaldehyde,pubchem7742 PubChem CID: 81700 IUPAC Name: 5-chlorothiophene-2-carbaldehyde SMILES: ClC1=CC=C(S1)C=O
| PubChem CID | 81700 |
|---|---|
| CAS | 7283-96-7 |
| Molecular Weight (g/mol) | 146.59 |
| MDL Number | MFCD00047090 |
| SMILES | ClC1=CC=C(S1)C=O |
| Synonym | 5-chloro-2-thiophenecarboxaldehyde,2-chloro-5-thiophenecarboxaldehyde,5-chlorothiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 5-chloro,5-chloro-2-formylthiophene,2-chloro-5-formylthiophene,5-chlorothiophene-2-aldehyde,5-chloro-2-thiophenecarbaldehyde,5-chloro-2-thiophene-carboxaldehyde,pubchem7742 |
| IUPAC Name | 5-chlorothiophene-2-carbaldehyde |
| InChI Key | VWYFITBWBRVBSW-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClOS |
2-(3-Phenylpropyl)pyridine, 99%
CAS: 2110-18-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00191237 InChI Key: JJJPNTQYUJPWGQ-UHFFFAOYSA-N Synonym: 2-3-phenylpropyl pyridine,pyridine, 2-3-phenylpropyl,unii-9f0bfm744f,alpha-3-phenylpropyl pyridine,2-phenylpropylpyridine,cortex pyridine,phenylpropylpyridine,3-phenylpropyl pyridine,acmc-1cs6o,dsstox_cid_22356 PubChem CID: 459494 IUPAC Name: 2-(3-phenylpropyl)pyridine SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=N1
| PubChem CID | 459494 |
|---|---|
| CAS | 2110-18-1 |
| Molecular Weight (g/mol) | 197.28 |
| MDL Number | MFCD00191237 |
| SMILES | C(CC1=CC=CC=C1)CC1=CC=CC=N1 |
| Synonym | 2-3-phenylpropyl pyridine,pyridine, 2-3-phenylpropyl,unii-9f0bfm744f,alpha-3-phenylpropyl pyridine,2-phenylpropylpyridine,cortex pyridine,phenylpropylpyridine,3-phenylpropyl pyridine,acmc-1cs6o,dsstox_cid_22356 |
| IUPAC Name | 2-(3-phenylpropyl)pyridine |
| InChI Key | JJJPNTQYUJPWGQ-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
Pyrido[2,3-b]pyrazine, 98%
CAS: 322-46-3 Molecular Formula: C7H5N3 Molecular Weight (g/mol): 131.14 MDL Number: MFCD00006717 InChI Key: YEYHFKBVNARCNE-UHFFFAOYSA-N Synonym: pyrido 2,3-b pyrazine,1,4,5-triazanaphthalene,5-azaquinoxaline,pyrido 2,3 pyrazine,pyrido 3,2-b pyrazine,acmc-20ahgw,1,5-triazanaphthalene,pyridino 2,3-b pyrazine PubChem CID: 67580 IUPAC Name: pyrido[2,3-b]pyrazine SMILES: C1=CN=C2N=CC=NC2=C1
| PubChem CID | 67580 |
|---|---|
| CAS | 322-46-3 |
| Molecular Weight (g/mol) | 131.14 |
| MDL Number | MFCD00006717 |
| SMILES | C1=CN=C2N=CC=NC2=C1 |
| Synonym | pyrido 2,3-b pyrazine,1,4,5-triazanaphthalene,5-azaquinoxaline,pyrido 2,3 pyrazine,pyrido 3,2-b pyrazine,acmc-20ahgw,1,5-triazanaphthalene,pyridino 2,3-b pyrazine |
| IUPAC Name | pyrido[2,3-b]pyrazine |
| InChI Key | YEYHFKBVNARCNE-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3 |
1H-Tetrazole, 0.45M in acetonitrile
CAS: 288-94-8 Molecular Formula: CH2N4 Molecular Weight (g/mol): 70.055 MDL Number: MFCD00005247 InChI Key: KJUGUADJHNHALS-UHFFFAOYSA-N PubChem CID: 67519 ChEBI: CHEBI:33193 IUPAC Name: 2H-tetrazole SMILES: C1=NNN=N1
| PubChem CID | 67519 |
|---|---|
| CAS | 288-94-8 |
| Molecular Weight (g/mol) | 70.055 |
| ChEBI | CHEBI:33193 |
| MDL Number | MFCD00005247 |
| SMILES | C1=NNN=N1 |
| IUPAC Name | 2H-tetrazole |
| InChI Key | KJUGUADJHNHALS-UHFFFAOYSA-N |
| Molecular Formula | CH2N4 |
4-Chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 96%
CAS: 300816-22-2 Molecular Formula: C9H7ClN2S Molecular Weight (g/mol): 210.68 MDL Number: MFCD00572400 InChI Key: JKXJMJPJOYMQSK-UHFFFAOYSA-N PubChem CID: 789817 IUPAC Name: 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine SMILES: ClC1=C2C3=C(CCC3)SC2=NC=N1
| PubChem CID | 789817 |
|---|---|
| CAS | 300816-22-2 |
| Molecular Weight (g/mol) | 210.68 |
| MDL Number | MFCD00572400 |
| SMILES | ClC1=C2C3=C(CCC3)SC2=NC=N1 |
| IUPAC Name | 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine |
| InChI Key | JKXJMJPJOYMQSK-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClN2S |
Benzyl nicotinate, 98%
CAS: 94-44-0 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.236 MDL Number: MFCD00023584 InChI Key: KVYGGMBOZFWZBQ-UHFFFAOYSA-N Synonym: benzyl nicotinate,nicotinic acid benzyl ester,rubriment,pycaril,pykaryl,niacin benzyl ester,3-pyridinecarboxylic acid, phenylmethyl ester,benzylis nicotinas,nicotinic acid, benzyl ester,nicotinsaeurebenzylester PubChem CID: 7191 ChEBI: CHEBI:31268 IUPAC Name: benzyl pyridine-3-carboxylate SMILES: C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2
| PubChem CID | 7191 |
|---|---|
| CAS | 94-44-0 |
| Molecular Weight (g/mol) | 213.236 |
| ChEBI | CHEBI:31268 |
| MDL Number | MFCD00023584 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 |
| Synonym | benzyl nicotinate,nicotinic acid benzyl ester,rubriment,pycaril,pykaryl,niacin benzyl ester,3-pyridinecarboxylic acid, phenylmethyl ester,benzylis nicotinas,nicotinic acid, benzyl ester,nicotinsaeurebenzylester |
| IUPAC Name | benzyl pyridine-3-carboxylate |
| InChI Key | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |
6-Iodo-1,4-benzodioxane, 95%, remainder mainly 5-isomer
CAS: 57744-67-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD00221460 InChI Key: HZTMYTXWFHBHDC-UHFFFAOYSA-N Synonym: 3,4-ethylenedioxyiodobenzene,6-iodo-2,3-dihydrobenzo b 1,4 dioxine,6-iodobenzodioxane,acmc-1azse,6-iodo-1,4-benzodioxane,6-iodo-2h,3h-benzo e 1,4-dioxin,2,3-dihydro-6-iodobenzo 1,4 dioxin,1,4-benzodioxin,2,3-dihydro-6-iodo PubChem CID: 2776176 IUPAC Name: 6-iodo-2,3-dihydro-1,4-benzodioxine SMILES: IC1=CC=C2OCCOC2=C1
| PubChem CID | 2776176 |
|---|---|
| CAS | 57744-67-9 |
| Molecular Weight (g/mol) | 262.05 |
| MDL Number | MFCD00221460 |
| SMILES | IC1=CC=C2OCCOC2=C1 |
| Synonym | 3,4-ethylenedioxyiodobenzene,6-iodo-2,3-dihydrobenzo b 1,4 dioxine,6-iodobenzodioxane,acmc-1azse,6-iodo-1,4-benzodioxane,6-iodo-2h,3h-benzo e 1,4-dioxin,2,3-dihydro-6-iodobenzo 1,4 dioxin,1,4-benzodioxin,2,3-dihydro-6-iodo |
| IUPAC Name | 6-iodo-2,3-dihydro-1,4-benzodioxine |
| InChI Key | HZTMYTXWFHBHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
5-(2-Pyridyl)-1H-tetrazole, 98%
CAS: 33893-89-9 Molecular Formula: C6H4N5 Molecular Weight (g/mol): 146.13 MDL Number: MFCD00068114 InChI Key: ZKHJXYLAESJIEI-UHFFFAOYSA-N Synonym: 5-2-pyridyl-1h-tetrazole,2-1h-tetrazol-5-yl pyridine,2-2h-tetrazol-5-yl pyridine,2-2h-tetrazol-5-yl-pyridine,pyridine, 2-1h-tetrazol-5-yl,5-2-pyridinyl tetrazole,2-1h-1,2,3,4-tetrazol-5-yl pyridine,5-2-pyridyl tetrazole,5-pyridin-2-yl tetrazole,chembl80094 PubChem CID: 320267 SMILES: [N-]1N=NN=C1C1=CC=CC=N1
| PubChem CID | 320267 |
|---|---|
| CAS | 33893-89-9 |
| Molecular Weight (g/mol) | 146.13 |
| MDL Number | MFCD00068114 |
| SMILES | [N-]1N=NN=C1C1=CC=CC=N1 |
| Synonym | 5-2-pyridyl-1h-tetrazole,2-1h-tetrazol-5-yl pyridine,2-2h-tetrazol-5-yl pyridine,2-2h-tetrazol-5-yl-pyridine,pyridine, 2-1h-tetrazol-5-yl,5-2-pyridinyl tetrazole,2-1h-1,2,3,4-tetrazol-5-yl pyridine,5-2-pyridyl tetrazole,5-pyridin-2-yl tetrazole,chembl80094 |
| InChI Key | ZKHJXYLAESJIEI-UHFFFAOYSA-N |
| Molecular Formula | C6H4N5 |