Organoheterocyclic compounds
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N-Phthaloyl-DL-glutamic Anhydride 98.0+%, TCI America™
CAS: 3343-28-0 Molecular Formula: C13H9NO5 Molecular Weight (g/mol): 259.22 MDL Number: MFCD00005886 InChI Key: ICDLEMPZXFCQEB-UHFFFAOYNA-N Synonym: 2-Phthalimidoglutaric Anhydride PubChem CID: 92193 IUPAC Name: 2-(2,6-dioxooxan-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: O=C1N(C2CCC(=O)OC2=O)C(=O)C2=CC=CC=C12
| PubChem CID | 92193 |
|---|---|
| CAS | 3343-28-0 |
| Molecular Weight (g/mol) | 259.22 |
| MDL Number | MFCD00005886 |
| SMILES | O=C1N(C2CCC(=O)OC2=O)C(=O)C2=CC=CC=C12 |
| Synonym | 2-Phthalimidoglutaric Anhydride |
| IUPAC Name | 2-(2,6-dioxooxan-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | ICDLEMPZXFCQEB-UHFFFAOYNA-N |
| Molecular Formula | C13H9NO5 |
(R)-(+)-Propylene Oxide 98.0+%, TCI America™
CAS: 15448-47-2 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00066211 InChI Key: GOOHAUXETOMSMM-GSVOUGTGSA-N Synonym: r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane PubChem CID: 146261 ChEBI: CHEBI:28985 IUPAC Name: (2R)-2-methyloxirane SMILES: CC1CO1
| PubChem CID | 146261 |
|---|---|
| CAS | 15448-47-2 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:28985 |
| MDL Number | MFCD00066211 |
| SMILES | CC1CO1 |
| Synonym | r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane |
| IUPAC Name | (2R)-2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-GSVOUGTGSA-N |
| Molecular Formula | C3H6O |
1,4-Dioxene 98.0+%, TCI America™
CAS: 543-75-9 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00082537 InChI Key: HIZVCIIORGCREW-UHFFFAOYSA-N Synonym: 1,4-dioxene,1,4-dioxin, 2,3-dihydro,p-dioxin, 2,3-dihydro,2,3-dihydro-1,4-dioxin,1,4-dioxane-2,3-diyl,# PubChem CID: 136353 IUPAC Name: 2,3-dihydro-1,4-dioxine SMILES: C1COC=CO1
| PubChem CID | 136353 |
|---|---|
| CAS | 543-75-9 |
| Molecular Weight (g/mol) | 86.09 |
| MDL Number | MFCD00082537 |
| SMILES | C1COC=CO1 |
| Synonym | 1,4-dioxene,1,4-dioxin, 2,3-dihydro,p-dioxin, 2,3-dihydro,2,3-dihydro-1,4-dioxin,1,4-dioxane-2,3-diyl,# |
| IUPAC Name | 2,3-dihydro-1,4-dioxine |
| InChI Key | HIZVCIIORGCREW-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
1,2:5,6-Di-O-isopropylidene-alpha-D-allofuranose 98.0+%, TCI America™
CAS: 2595-05-3 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00135634 InChI Key: KEJGAYKWRDILTF-VVULQXIFSA-N Synonym: 1,2:5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyltetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2,5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-4r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2:5,6-bis-o-1-methylethylidene,5,6-di-o-isopropylidene-alpha-d-allofuranose,1,2:5,6-di-o-isopropylidene-?-d-allofuranose,1,2:5,6-di-o-isopropylidene-alpha-d-ribo-hexofuranose,1-o,2-o:5-o,6-o-diisopropylidene-alpha-d-allofuranose PubChem CID: 7157054 IUPAC Name: (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol SMILES: CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C
| PubChem CID | 7157054 |
|---|---|
| CAS | 2595-05-3 |
| Molecular Weight (g/mol) | 260.29 |
| MDL Number | MFCD00135634 |
| SMILES | CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C |
| Synonym | 1,2:5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyltetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2,5,6-di-o-isopropylidene-alpha-d-allofuranose,3ar,5s,6r,6ar-5-4r-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 2,3-d 1,3 dioxol-6-ol,1,2:5,6-bis-o-1-methylethylidene,5,6-di-o-isopropylidene-alpha-d-allofuranose,1,2:5,6-di-o-isopropylidene-?-d-allofuranose,1,2:5,6-di-o-isopropylidene-alpha-d-ribo-hexofuranose,1-o,2-o:5-o,6-o-diisopropylidene-alpha-d-allofuranose |
| IUPAC Name | (3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
| InChI Key | KEJGAYKWRDILTF-VVULQXIFSA-N |
| Molecular Formula | C12H20O6 |
2,3-Dicyano-5-methylpyrazine 99.0+%, TCI America™
CAS: 52197-12-3 Molecular Formula: C7H4N4 Molecular Weight (g/mol): 144.14 MDL Number: MFCD00191635 InChI Key: RHYUBLSWHDYKAO-UHFFFAOYSA-N Synonym: 5-Methyl-2,3-pyrazinedicarbonitrile PubChem CID: 300516 IUPAC Name: 5-methylpyrazine-2,3-dicarbonitrile SMILES: CC1=CN=C(C#N)C(=N1)C#N
| PubChem CID | 300516 |
|---|---|
| CAS | 52197-12-3 |
| Molecular Weight (g/mol) | 144.14 |
| MDL Number | MFCD00191635 |
| SMILES | CC1=CN=C(C#N)C(=N1)C#N |
| Synonym | 5-Methyl-2,3-pyrazinedicarbonitrile |
| IUPAC Name | 5-methylpyrazine-2,3-dicarbonitrile |
| InChI Key | RHYUBLSWHDYKAO-UHFFFAOYSA-N |
| Molecular Formula | C7H4N4 |
3-Propoxypyridine-2-carboxylic Acid 98.0+%, TCI America™
CAS: 14440-94-9 Molecular Formula: C9H11NO3 MDL Number: MFCD00191574 Synonym: 3-Propoxypicolinic Acid
| CAS | 14440-94-9 |
|---|---|
| MDL Number | MFCD00191574 |
| Synonym | 3-Propoxypicolinic Acid |
| Molecular Formula | C9H11NO3 |
2-Phenyl-2-(2-pyridyl)acetonitrile 98.0+%, TCI America™
CAS: 5005-36-7 Molecular Formula: C13H10N2 Molecular Weight (g/mol): 194.237 MDL Number: MFCD00023497 InChI Key: CAXNYFPECZCGFK-UHFFFAOYSA-N Synonym: alpha-Phenyl-2-pyridineacetonitrile, 2-(alpha-Cyanobenzyl)pyridine PubChem CID: 95510 IUPAC Name: 2-phenyl-2-pyridin-2-ylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2
| PubChem CID | 95510 |
|---|---|
| CAS | 5005-36-7 |
| Molecular Weight (g/mol) | 194.237 |
| MDL Number | MFCD00023497 |
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2 |
| Synonym | alpha-Phenyl-2-pyridineacetonitrile, 2-(alpha-Cyanobenzyl)pyridine |
| IUPAC Name | 2-phenyl-2-pyridin-2-ylacetonitrile |
| InChI Key | CAXNYFPECZCGFK-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2 |
2-(1H-1,2,4-Triazol-3-yl)pyridine 98.0+%, TCI America™
CAS: 23195-62-2 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.153 MDL Number: MFCD13188589 InChI Key: PVMLJDLTWMGZAH-UHFFFAOYSA-N Synonym: 3-(2-Pyridyl)-1,2,4-triazole PubChem CID: 10898842 IUPAC Name: 2-(1H-1,2,4-triazol-5-yl)pyridine SMILES: C1=CC=NC(=C1)C2=NC=NN2
| PubChem CID | 10898842 |
|---|---|
| CAS | 23195-62-2 |
| Molecular Weight (g/mol) | 146.153 |
| MDL Number | MFCD13188589 |
| SMILES | C1=CC=NC(=C1)C2=NC=NN2 |
| Synonym | 3-(2-Pyridyl)-1,2,4-triazole |
| IUPAC Name | 2-(1H-1,2,4-triazol-5-yl)pyridine |
| InChI Key | PVMLJDLTWMGZAH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4 |
Pirfenidone 98.0+%, TCI America™
CAS: 53179-13-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00866047 InChI Key: ISWRGOKTTBVCFA-UHFFFAOYSA-N Synonym: pirfenidone,5-methyl-1-phenylpyridin-2 1h-one,esbriet,deskar,pirespa,amr-69,5-methyl-1-phenyl-2-1h-pyridone,pirfenidonum,pirfenidona,amr 69 PubChem CID: 40632 ChEBI: CHEBI:32016 IUPAC Name: 5-methyl-1-phenylpyridin-2-one SMILES: CC1=CN(C(=O)C=C1)C2=CC=CC=C2
| PubChem CID | 40632 |
|---|---|
| CAS | 53179-13-8 |
| Molecular Weight (g/mol) | 185.226 |
| ChEBI | CHEBI:32016 |
| MDL Number | MFCD00866047 |
| SMILES | CC1=CN(C(=O)C=C1)C2=CC=CC=C2 |
| Synonym | pirfenidone,5-methyl-1-phenylpyridin-2 1h-one,esbriet,deskar,pirespa,amr-69,5-methyl-1-phenyl-2-1h-pyridone,pirfenidonum,pirfenidona,amr 69 |
| IUPAC Name | 5-methyl-1-phenylpyridin-2-one |
| InChI Key | ISWRGOKTTBVCFA-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
1,1'-[1,4-Phenylenebis(methylene)]bis(1-pyridinium) Dibromide 98.0+%, TCI America™
CAS: 14208-10-7 Molecular Formula: C18H18Br2N2 Molecular Weight (g/mol): 422.164 MDL Number: MFCD00043749 InChI Key: MMKBQSJLLGHVIM-UHFFFAOYSA-L Synonym: 1,1′-(p-Xylylene)bis(1-pyridinium) Dibromide, 1,1′-(p-Xylylene)bis(1-pyridinium bromide), DPX PubChem CID: 3036637 IUPAC Name: 1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium;dibromide SMILES: C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-].[Br-]
| PubChem CID | 3036637 |
|---|---|
| CAS | 14208-10-7 |
| Molecular Weight (g/mol) | 422.164 |
| MDL Number | MFCD00043749 |
| SMILES | C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-].[Br-] |
| Synonym | 1,1′-(p-Xylylene)bis(1-pyridinium) Dibromide, 1,1′-(p-Xylylene)bis(1-pyridinium bromide), DPX |
| IUPAC Name | 1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium;dibromide |
| InChI Key | MMKBQSJLLGHVIM-UHFFFAOYSA-L |
| Molecular Formula | C18H18Br2N2 |
1H-Pyrrolo[3,2-c]pyridine 98.0+%, TCI America™
CAS: 271-34-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00955936 InChI Key: SRSKXJVMVSSSHB-UHFFFAOYSA-N Synonym: 5-azaindole,1h-pyrrolo 3,2-c pyridine,1,5-diazaindene,3,7-dideazapurine,5-azindole,5h-pyrrolo 3,2-c pyridine,pyrrolo 3,2-c pyridine,5-aza indole,5-aza-indole PubChem CID: 9220 IUPAC Name: 1H-pyrrolo[3,2-c]pyridine SMILES: C1=CNC2=C1C=NC=C2
| PubChem CID | 9220 |
|---|---|
| CAS | 271-34-1 |
| Molecular Weight (g/mol) | 118.139 |
| MDL Number | MFCD00955936 |
| SMILES | C1=CNC2=C1C=NC=C2 |
| Synonym | 5-azaindole,1h-pyrrolo 3,2-c pyridine,1,5-diazaindene,3,7-dideazapurine,5-azindole,5h-pyrrolo 3,2-c pyridine,pyrrolo 3,2-c pyridine,5-aza indole,5-aza-indole |
| IUPAC Name | 1H-pyrrolo[3,2-c]pyridine |
| InChI Key | SRSKXJVMVSSSHB-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Phenylmaleic Anhydride 98.0+%, TCI America™
CAS: 36122-35-7 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00015472 InChI Key: QZYCWJVSPFQUQC-UHFFFAOYSA-N Synonym: phenylmaleic anhydride,3-phenyl-furan-2,5-dione,3-phenyl-2,5-furandione,3-phenyl-2,5-dihydrofuran-2,5-dione,2,5-furandione, 3-phenyl,phenylmaleicanhydride,phenylmalecanhydrde,acmc-20ajwi,phenyl maleic anhydride,phenyl-maleic anhydride PubChem CID: 99174 IUPAC Name: 3-phenyl-2,5-dihydrofuran-2,5-dione SMILES: O=C1OC(=O)C(=C1)C1=CC=CC=C1
| PubChem CID | 99174 |
|---|---|
| CAS | 36122-35-7 |
| Molecular Weight (g/mol) | 174.16 |
| MDL Number | MFCD00015472 |
| SMILES | O=C1OC(=O)C(=C1)C1=CC=CC=C1 |
| Synonym | phenylmaleic anhydride,3-phenyl-furan-2,5-dione,3-phenyl-2,5-furandione,3-phenyl-2,5-dihydrofuran-2,5-dione,2,5-furandione, 3-phenyl,phenylmaleicanhydride,phenylmalecanhydrde,acmc-20ajwi,phenyl maleic anhydride,phenyl-maleic anhydride |
| IUPAC Name | 3-phenyl-2,5-dihydrofuran-2,5-dione |
| InChI Key | QZYCWJVSPFQUQC-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
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 |
Psoralen 99.0+%, TCI America™
CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1
| PubChem CID | 6199 |
|---|---|
| CAS | 66-97-7 |
| Molecular Weight (g/mol) | 186.17 |
| ChEBI | CHEBI:27616 |
| MDL Number | MFCD00010520 |
| SMILES | O=C1OC2=CC3=C(C=CO3)C=C2C=C1 |
| Synonym | psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin |
| IUPAC Name | 7H-furo[3,2-g]chromen-7-one |
| InChI Key | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| Molecular Formula | C11H6O3 |
Prochloraz 98.0+%, TCI America™
CAS: 67747-09-5 Molecular Formula: C15H16Cl3N3O2 Molecular Weight (g/mol): 376.662 MDL Number: MFCD00078735 InChI Key: TVLSRXXIMLFWEO-UHFFFAOYSA-N Synonym: prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint PubChem CID: 73665 ChEBI: CHEBI:8434 IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide SMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2
| PubChem CID | 73665 |
|---|---|
| CAS | 67747-09-5 |
| Molecular Weight (g/mol) | 376.662 |
| ChEBI | CHEBI:8434 |
| MDL Number | MFCD00078735 |
| SMILES | CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2 |
| Synonym | prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint |
| IUPAC Name | N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide |
| InChI Key | TVLSRXXIMLFWEO-UHFFFAOYSA-N |
| Molecular Formula | C15H16Cl3N3O2 |