Organoheterocyclic compounds
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3-Methylpyridine-2-carboxylic Acid 98.0+%, TCI America™
CAS: 4021-07-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00191553 InChI Key: LMHIBYREWJHKNZ-UHFFFAOYSA-N Synonym: 3-methylpicolinic acid,3-methyl-2-pyridinecarboxylic acid,3-methyl-2-picolinic acid,2-pyridinecarboxylic acid, 3-methyl,3-methyl-a-picolinic acid,3-methyl-alpha-picolinic acid,3-methylpyridine-2-carboxylicacid,methylpyridincarbonsaure,pubchem14396,pubchem17659 PubChem CID: 268757 IUPAC Name: 3-methylpyridine-2-carboxylic acid SMILES: CC1=C(N=CC=C1)C(=O)O
| PubChem CID | 268757 |
|---|---|
| CAS | 4021-07-2 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00191553 |
| SMILES | CC1=C(N=CC=C1)C(=O)O |
| Synonym | 3-methylpicolinic acid,3-methyl-2-pyridinecarboxylic acid,3-methyl-2-picolinic acid,2-pyridinecarboxylic acid, 3-methyl,3-methyl-a-picolinic acid,3-methyl-alpha-picolinic acid,3-methylpyridine-2-carboxylicacid,methylpyridincarbonsaure,pubchem14396,pubchem17659 |
| IUPAC Name | 3-methylpyridine-2-carboxylic acid |
| InChI Key | LMHIBYREWJHKNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-Bromo-5-chlorothiophene 95.0+%, TCI America™
CAS: 2873-18-9 Molecular Formula: C4H2BrClS Molecular Weight (g/mol): 197.47 MDL Number: MFCD00014523 InChI Key: ZFAJPWYXLYGUJU-UHFFFAOYSA-N Synonym: 2-chloro-5-bromothiophene,5-bromo-2-chlorothiophene,2-chloro-5-bromo thiophene,thiophene, 2-bromo-5-chloro,2-brom-5-chlorthiophen,pubchem5279,acmc-1cs3j,2-bromo-5-chloro-thiophene,5-bromo-2-chloro-thiophene,ksc207m3t PubChem CID: 76133 IUPAC Name: 2-bromo-5-chlorothiophene SMILES: ClC1=CC=C(Br)S1
| PubChem CID | 76133 |
|---|---|
| CAS | 2873-18-9 |
| Molecular Weight (g/mol) | 197.47 |
| MDL Number | MFCD00014523 |
| SMILES | ClC1=CC=C(Br)S1 |
| Synonym | 2-chloro-5-bromothiophene,5-bromo-2-chlorothiophene,2-chloro-5-bromo thiophene,thiophene, 2-bromo-5-chloro,2-brom-5-chlorthiophen,pubchem5279,acmc-1cs3j,2-bromo-5-chloro-thiophene,5-bromo-2-chloro-thiophene,ksc207m3t |
| IUPAC Name | 2-bromo-5-chlorothiophene |
| InChI Key | ZFAJPWYXLYGUJU-UHFFFAOYSA-N |
| Molecular Formula | C4H2BrClS |
tert-Butyl Glycidyl Ether 96.0+%, TCI America™
CAS: 7665-72-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00010050 InChI Key: SFJRUJUEMVAZLM-UHFFFAOYNA-N Synonym: 1-tert-Butoxy-2,3-epoxypropane PubChem CID: 24314 IUPAC Name: 2-[(tert-butoxy)methyl]oxirane SMILES: CC(C)(C)OCC1CO1
| PubChem CID | 24314 |
|---|---|
| CAS | 7665-72-7 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00010050 |
| SMILES | CC(C)(C)OCC1CO1 |
| Synonym | 1-tert-Butoxy-2,3-epoxypropane |
| IUPAC Name | 2-[(tert-butoxy)methyl]oxirane |
| InChI Key | SFJRUJUEMVAZLM-UHFFFAOYNA-N |
| Molecular Formula | C7H14O2 |
1-(4-Nitrophenyl)piperazine 98.0+%, TCI America™
CAS: 6269-89-2 Molecular Formula: C10H13N3O2 Molecular Weight (g/mol): 207.233 MDL Number: MFCD00005961 InChI Key: VWOJSRICSKDKAW-UHFFFAOYSA-N Synonym: 1-4-nitrophenyl piperazine,1-4-nitro-phenyl-piperazine,piperazine, 1-4-nitrophenyl,1-4-nitrophenyl-piperazine,n-4-nitrophenyl piperazine,n-4-nitrophenyl-piperazine,4-nitrophenyl piperazine,1-4-nitrophenyl piperazin,pubchem8580,4-nitrophenylpiperazine PubChem CID: 80447 SMILES: C1CN(CCN1)C2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 80447 |
|---|---|
| CAS | 6269-89-2 |
| Molecular Weight (g/mol) | 207.233 |
| MDL Number | MFCD00005961 |
| SMILES | C1CN(CCN1)C2=CC=C(C=C2)[N+](=O)[O-] |
| Synonym | 1-4-nitrophenyl piperazine,1-4-nitro-phenyl-piperazine,piperazine, 1-4-nitrophenyl,1-4-nitrophenyl-piperazine,n-4-nitrophenyl piperazine,n-4-nitrophenyl-piperazine,4-nitrophenyl piperazine,1-4-nitrophenyl piperazin,pubchem8580,4-nitrophenylpiperazine |
| InChI Key | VWOJSRICSKDKAW-UHFFFAOYSA-N |
| Molecular Formula | C10H13N3O2 |
N-Succinimidyl N-[6-(Biotinamido)hexanoyl]-6-aminohexanoate 90.0+%, TCI America™
CAS: 89889-52-1 Molecular Formula: C26H41N5O7S Molecular Weight (g/mol): 567.70 MDL Number: MFCD00467154 InChI Key: ATYCFNRXENKXSE-UHFFFAOYNA-N Synonym: N-[6-(Biotinamido)hexanoyl]-6-aminohexanoic Acid N-Succinimidyl Ester, Biotin-LC-LC-NHS PubChem CID: 16219024 IUPAC Name: 2,5-dioxopyrrolidin-1-yl 6-[6-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)hexanamido]hexanoate SMILES: O=C(CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12)NCCCCCC(=O)ON1C(=O)CCC1=O
| PubChem CID | 16219024 |
|---|---|
| CAS | 89889-52-1 |
| Molecular Weight (g/mol) | 567.70 |
| MDL Number | MFCD00467154 |
| SMILES | O=C(CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12)NCCCCCC(=O)ON1C(=O)CCC1=O |
| Synonym | N-[6-(Biotinamido)hexanoyl]-6-aminohexanoic Acid N-Succinimidyl Ester, Biotin-LC-LC-NHS |
| IUPAC Name | 2,5-dioxopyrrolidin-1-yl 6-[6-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)hexanamido]hexanoate |
| InChI Key | ATYCFNRXENKXSE-UHFFFAOYNA-N |
| Molecular Formula | C26H41N5O7S |
2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride 98.0+%, TCI America™
CAS: 70918-74-0 Molecular Formula: C13H17ClN2O3 Molecular Weight (g/mol): 284.74 MDL Number: MFCD00729051 InChI Key: TUKBWYXLYINULI-UHFFFAOYSA-N Synonym: 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine Hydrochloride PubChem CID: 2822434 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride SMILES: C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl
| PubChem CID | 2822434 |
|---|---|
| CAS | 70918-74-0 |
| Molecular Weight (g/mol) | 284.74 |
| MDL Number | MFCD00729051 |
| SMILES | C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl |
| Synonym | 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine Hydrochloride |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride |
| InChI Key | TUKBWYXLYINULI-UHFFFAOYSA-N |
| Molecular Formula | C13H17ClN2O3 |
6-Chloro-4-quinolinol 98.0+%, TCI America™
CAS: 23432-43-1 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00024011 InChI Key: XXGUQCVVGPZTPF-UHFFFAOYSA-N Synonym: 6-Chloro-4-hydroxyquinoline PubChem CID: 220929 IUPAC Name: 6-chloro-1H-quinolin-4-one SMILES: C1=CC2=C(C=C1Cl)C(=O)C=CN2
| PubChem CID | 220929 |
|---|---|
| CAS | 23432-43-1 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00024011 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C=CN2 |
| Synonym | 6-Chloro-4-hydroxyquinoline |
| IUPAC Name | 6-chloro-1H-quinolin-4-one |
| InChI Key | XXGUQCVVGPZTPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
beta-Naphthoflavone 99.0+%, TCI America™
CAS: 6051-87-2 Molecular Formula: C19H12O2 Molecular Weight (g/mol): 272.303 MDL Number: MFCD00004986 InChI Key: OUGIDAPQYNCXRA-UHFFFAOYSA-N Synonym: beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone PubChem CID: 2361 ChEBI: CHEBI:77013 IUPAC Name: 3-phenylbenzo[f]chromen-1-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
| PubChem CID | 2361 |
|---|---|
| CAS | 6051-87-2 |
| Molecular Weight (g/mol) | 272.303 |
| ChEBI | CHEBI:77013 |
| MDL Number | MFCD00004986 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43 |
| Synonym | beta-naphthoflavone,5,6-benzoflavone,beta-nf,3-phenyl-1h-naphtho 2,1-b pyran-1-one,3-phenyl-1h-benzo f chromen-1-one,1h-naphtho 2,1-b pyran-1-one, 3-phenyl,unii-1bt0256y8o,3-phenylbenzo f chromen-1-one,ccris 3262,.beta.-naphthoflavone |
| IUPAC Name | 3-phenylbenzo[f]chromen-1-one |
| InChI Key | OUGIDAPQYNCXRA-UHFFFAOYSA-N |
| Molecular Formula | C19H12O2 |
Isonipecotamide 98.0+%, TCI America™
CAS: 39546-32-2 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00038012 InChI Key: DPBWFNDFMCCGGJ-UHFFFAOYSA-N Synonym: isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide PubChem CID: 3772 IUPAC Name: piperidine-4-carboxamide SMILES: NC(=O)C1CCNCC1
| PubChem CID | 3772 |
|---|---|
| CAS | 39546-32-2 |
| Molecular Weight (g/mol) | 128.18 |
| MDL Number | MFCD00038012 |
| SMILES | NC(=O)C1CCNCC1 |
| Synonym | isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide |
| IUPAC Name | piperidine-4-carboxamide |
| InChI Key | DPBWFNDFMCCGGJ-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
Ethyl 2-Aminoisonicotinate 98.0+%, TCI America™
CAS: 13362-30-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD03791260 InChI Key: XVBZFXZNJAFCHL-UHFFFAOYSA-N Synonym: ethyl 2-aminoisonicotinate,2-amino-isonicotinic acid ethyl ester,ethyl 2-amino-4-pyridinecarboxylate,2-aminoisonicotinic acid ethyl ester,2-amino-4-ethoxycarbonyl pyridine,4-pyridinecarboxylic acid, 2-amino-, ethyl ester,2-amino-4-pyridinecarboxylic acid ethyl ester,2-aminopyridine-4-carboxylic acid ethyl ester,pubchem16599,acmc-209bt6 PubChem CID: 7015521 IUPAC Name: ethyl 2-aminopyridine-4-carboxylate SMILES: CCOC(=O)C1=CC(=NC=C1)N
| PubChem CID | 7015521 |
|---|---|
| CAS | 13362-30-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD03791260 |
| SMILES | CCOC(=O)C1=CC(=NC=C1)N |
| Synonym | ethyl 2-aminoisonicotinate,2-amino-isonicotinic acid ethyl ester,ethyl 2-amino-4-pyridinecarboxylate,2-aminoisonicotinic acid ethyl ester,2-amino-4-ethoxycarbonyl pyridine,4-pyridinecarboxylic acid, 2-amino-, ethyl ester,2-amino-4-pyridinecarboxylic acid ethyl ester,2-aminopyridine-4-carboxylic acid ethyl ester,pubchem16599,acmc-209bt6 |
| IUPAC Name | ethyl 2-aminopyridine-4-carboxylate |
| InChI Key | XVBZFXZNJAFCHL-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
N-(tert-Butoxycarbonyl)-L-tryptophan 98.0+%, TCI America™
CAS: 13139-14-5 Molecular Formula: C16H20N2O4 Molecular Weight (g/mol): 304.35 MDL Number: MFCD000655 InChI Key: NFVNYBJCJGKVQK-ZDUSSCGKSA-N Synonym: boc-trp-oh,n-boc-l-tryptophan,boc-l-tryptophan,n-tert-butoxy carbonyl-l-tryptophan,boc-l-trp-oh,boc-l-tryptophane,s-2-tert-butoxycarbonyl amino-3-1h-indol-3-yl propanoic acid,l-tryptophan, n-1,1-dimethylethoxy carbonyl,boc-tryptophan,n-tert-butoxycarbonyl-l-tryptophan PubChem CID: 83169 IUPAC Name: (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
| PubChem CID | 83169 |
|---|---|
| CAS | 13139-14-5 |
| Molecular Weight (g/mol) | 304.35 |
| MDL Number | MFCD000655 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O |
| Synonym | boc-trp-oh,n-boc-l-tryptophan,boc-l-tryptophan,n-tert-butoxy carbonyl-l-tryptophan,boc-l-trp-oh,boc-l-tryptophane,s-2-tert-butoxycarbonyl amino-3-1h-indol-3-yl propanoic acid,l-tryptophan, n-1,1-dimethylethoxy carbonyl,boc-tryptophan,n-tert-butoxycarbonyl-l-tryptophan |
| IUPAC Name | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid |
| InChI Key | NFVNYBJCJGKVQK-ZDUSSCGKSA-N |
| Molecular Formula | C16H20N2O4 |
Bis(pinacolato)diboron 99.0+%, TCI America™
CAS: 73183-34-3 Molecular Formula: C12H24B2O4 Molecular Weight (g/mol): 253.94 MDL Number: MFCD00799570 InChI Key: IPWKHHSGDUIRAH-UHFFFAOYSA-N Synonym: bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u PubChem CID: 2733548 IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2733548 |
|---|---|
| CAS | 73183-34-3 |
| Molecular Weight (g/mol) | 253.94 |
| MDL Number | MFCD00799570 |
| SMILES | CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1 |
| Synonym | bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane |
| InChI Key | IPWKHHSGDUIRAH-UHFFFAOYSA-N |
| Molecular Formula | C12H24B2O4 |
N-Carbobenzoxy-DL-tryptophan 97.0+%, TCI America™
CAS: 13058-16-7 Molecular Formula: C19H18N2O4 Molecular Weight (g/mol): 338.36 MDL Number: MFCD00069707 InChI Key: AHYFYYVVAXRMKB-UHFFFAOYNA-N Synonym: N-Cbz-DL-tryptophan, Z-DL-Trp-OH PubChem CID: 98198 IUPAC Name: 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid SMILES: OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1
| PubChem CID | 98198 |
|---|---|
| CAS | 13058-16-7 |
| Molecular Weight (g/mol) | 338.36 |
| MDL Number | MFCD00069707 |
| SMILES | OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)OCC1=CC=CC=C1 |
| Synonym | N-Cbz-DL-tryptophan, Z-DL-Trp-OH |
| IUPAC Name | 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid |
| InChI Key | AHYFYYVVAXRMKB-UHFFFAOYNA-N |
| Molecular Formula | C19H18N2O4 |
8-Methylquinoline 99.0+%, TCI America™
CAS: 611-32-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006810 InChI Key: JRLTTZUODKEYDH-UHFFFAOYSA-N Synonym: quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 PubChem CID: 11910 ChEBI: CHEBI:48984 IUPAC Name: 8-methylquinoline SMILES: CC1=C2N=CC=CC2=CC=C1
| PubChem CID | 11910 |
|---|---|
| CAS | 611-32-5 |
| Molecular Weight (g/mol) | 143.19 |
| ChEBI | CHEBI:48984 |
| MDL Number | MFCD00006810 |
| SMILES | CC1=C2N=CC=CC2=CC=C1 |
| Synonym | quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 |
| IUPAC Name | 8-methylquinoline |
| InChI Key | JRLTTZUODKEYDH-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
4-Methylpyridine N-Oxide 98.0+%, TCI America™
CAS: 1003-67-4 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006210 InChI Key: IWYYIZOHWPCALJ-UHFFFAOYSA-N Synonym: 4-picoline-n-oxide,4-picoline n-oxide,4-methylpyridine n-oxide,4-methylpyridine 1-oxide,pyridine, 4-methyl-, 1-oxide,4-picoline 1-oxide,4-picoline, 1-oxide,gamma-picoline n-oxide,gamma-picoline 1-oxide,4-methylpyridin-1-ium-1-olate PubChem CID: 13857 IUPAC Name: 4-methylpyridin-1-ium-1-olate SMILES: CC1=CC=[N+]([O-])C=C1
| PubChem CID | 13857 |
|---|---|
| CAS | 1003-67-4 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006210 |
| SMILES | CC1=CC=[N+]([O-])C=C1 |
| Synonym | 4-picoline-n-oxide,4-picoline n-oxide,4-methylpyridine n-oxide,4-methylpyridine 1-oxide,pyridine, 4-methyl-, 1-oxide,4-picoline 1-oxide,4-picoline, 1-oxide,gamma-picoline n-oxide,gamma-picoline 1-oxide,4-methylpyridin-1-ium-1-olate |
| IUPAC Name | 4-methylpyridin-1-ium-1-olate |
| InChI Key | IWYYIZOHWPCALJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |