Organoheterocyclic compounds
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Wortmannin 98.0+%, TCI America™
CAS: 19545-26-7 Molecular Formula: C23H24O8 Molecular Weight (g/mol): 428.44 MDL Number: MFCD00133927 InChI Key: QDLHCMPXEPAAMD-QAIWCSMKSA-N Synonym: wortmannin,wartmannin,antibiotic sl-2052,unii-xva4o219qw,xva4o219qw,pi 3-kinase inhibitor,1alpha,11alpha-11-acetyloxy-1-methoxymethyl-2-oxaandrosta-5,8-dieno 6,5,4-bc furan-3,7,17-trione,1r,3r,5s,9r,18s-18-methoxymethyl-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo 10.6.1.0^ 2,10 .0^ 5,9 .0^ 15,19 nonadeca-2 10 ,12 19 ,14-trien-3-yl acetate,1s,6br,9as,11r,11br-9a,11b-dimethyl-1-methyloxy methyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo 4,3,2-de indeno 4,5-h isochromen-11-yl acetate,wortmanin PubChem CID: 312145 ChEBI: CHEBI:52289 IUPAC Name: (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-2(10),12(19),14-trien-3-yl acetate SMILES: COC[C@H]1OC(=O)C2=COC3=C2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
| PubChem CID | 312145 |
|---|---|
| CAS | 19545-26-7 |
| Molecular Weight (g/mol) | 428.44 |
| ChEBI | CHEBI:52289 |
| MDL Number | MFCD00133927 |
| SMILES | COC[C@H]1OC(=O)C2=COC3=C2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |
| Synonym | wortmannin,wartmannin,antibiotic sl-2052,unii-xva4o219qw,xva4o219qw,pi 3-kinase inhibitor,1alpha,11alpha-11-acetyloxy-1-methoxymethyl-2-oxaandrosta-5,8-dieno 6,5,4-bc furan-3,7,17-trione,1r,3r,5s,9r,18s-18-methoxymethyl-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo 10.6.1.0^ 2,10 .0^ 5,9 .0^ 15,19 nonadeca-2 10 ,12 19 ,14-trien-3-yl acetate,1s,6br,9as,11r,11br-9a,11b-dimethyl-1-methyloxy methyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo 4,3,2-de indeno 4,5-h isochromen-11-yl acetate,wortmanin |
| IUPAC Name | (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-2(10),12(19),14-trien-3-yl acetate |
| InChI Key | QDLHCMPXEPAAMD-QAIWCSMKSA-N |
| Molecular Formula | C23H24O8 |
N-Succinimidyl Ferrocenecarboxylate 98.0+%, TCI America™
CAS: 115223-09-1 Molecular Formula: C15H15FeNO4 Molecular Weight (g/mol): 329.133 MDL Number: MFCD03427488 InChI Key: CNVNCOWBDQLYOU-UHFFFAOYSA-N Synonym: Ferrocenecarboxylic Acid N-Succinimidyl Ester PubChem CID: 14226536 IUPAC Name: cyclopenta-1,3-diene;(2,5-dioxopyrrolidin-1-yl) cyclopenta-1,3-diene-1-carboxylate;iron SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=CC2.C1C=CC=C1.[Fe]
| PubChem CID | 14226536 |
|---|---|
| CAS | 115223-09-1 |
| Molecular Weight (g/mol) | 329.133 |
| MDL Number | MFCD03427488 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC=CC2.C1C=CC=C1.[Fe] |
| Synonym | Ferrocenecarboxylic Acid N-Succinimidyl Ester |
| IUPAC Name | cyclopenta-1,3-diene;(2,5-dioxopyrrolidin-1-yl) cyclopenta-1,3-diene-1-carboxylate;iron |
| InChI Key | CNVNCOWBDQLYOU-UHFFFAOYSA-N |
| Molecular Formula | C15H15FeNO4 |
N-(Carbobenzoxy)-1H-pyrazole-1-carboxamidine 98.0+%, TCI America™
CAS: 152120-62-2 Molecular Formula: C12H12N4O2 Molecular Weight (g/mol): 244.254 MDL Number: MFCD00274657 InChI Key: BXUMISWXFKCEIA-UHFFFAOYSA-N Synonym: n-z-1h-pyrazole-1-carboxamidine,benzyl imino 1h-pyrazol-1-yl methyl carbamate,n-benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n-carbobenzoxy-1h-pyrazole-1-carboxamidine,n-z-1h-pyrazole-1-carboxamdne,benzyl n-imino 1-pyrazolyl methyl carbamate,benzyl imino-1h-pyrazol-1-yl methylcarbamate PubChem CID: 11857377 IUPAC Name: benzyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate SMILES: C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2
| PubChem CID | 11857377 |
|---|---|
| CAS | 152120-62-2 |
| Molecular Weight (g/mol) | 244.254 |
| MDL Number | MFCD00274657 |
| SMILES | C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2 |
| Synonym | n-z-1h-pyrazole-1-carboxamidine,benzyl imino 1h-pyrazol-1-yl methyl carbamate,n-benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n-carbobenzoxy-1h-pyrazole-1-carboxamidine,n-z-1h-pyrazole-1-carboxamdne,benzyl n-imino 1-pyrazolyl methyl carbamate,benzyl imino-1h-pyrazol-1-yl methylcarbamate |
| IUPAC Name | benzyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate |
| InChI Key | BXUMISWXFKCEIA-UHFFFAOYSA-N |
| Molecular Formula | C12H12N4O2 |
3-Phenylphthalide 98.0+%, TCI America™
CAS: 5398-11-8 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00023099 InChI Key: SQFMIHCARVMICF-UHFFFAOYNA-N Synonym: 3-phenylphthalide,3-phenyl phthalide,phthalide, 3-phenyl,3-phenyl-2-benzofuran-1 3h-one,3-phenyl-1 3h-isobenzofuranone,3-phenyl-1,3-dihydro-2-benzofuran-1-one,1 3h-isobenzofuranone, 3-phenyl,3-phenyl-3-hydroisobenzofuran-1-one,phenylphthalid,acmc-1ak9n PubChem CID: 95365 IUPAC Name: 3-phenyl-3H-2-benzofuran-1-one SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2
| PubChem CID | 95365 |
|---|---|
| CAS | 5398-11-8 |
| Molecular Weight (g/mol) | 210.23 |
| MDL Number | MFCD00023099 |
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2 |
| Synonym | 3-phenylphthalide,3-phenyl phthalide,phthalide, 3-phenyl,3-phenyl-2-benzofuran-1 3h-one,3-phenyl-1 3h-isobenzofuranone,3-phenyl-1,3-dihydro-2-benzofuran-1-one,1 3h-isobenzofuranone, 3-phenyl,3-phenyl-3-hydroisobenzofuran-1-one,phenylphthalid,acmc-1ak9n |
| IUPAC Name | 3-phenyl-3H-2-benzofuran-1-one |
| InChI Key | SQFMIHCARVMICF-UHFFFAOYNA-N |
| Molecular Formula | C14H10O2 |
2-[2-(5-Methylfuran-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine 85.0+%, TCI America™
CAS: 156360-76-8 Molecular Formula: C12H7Cl6N3O Molecular Weight (g/mol): 421.908 MDL Number: MFCD00671558 InChI Key: XOPKKHCDIAYUSK-UHFFFAOYSA-N Synonym: 2,4-Bis(trichloromethyl)-6-[2-(5-methylfuran-2-yl)vinyl]-1,3,5-triazine PubChem CID: 53405094 IUPAC Name: 2-[2-(5-methylfuran-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine SMILES: CC1=CC=C(O1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
| PubChem CID | 53405094 |
|---|---|
| CAS | 156360-76-8 |
| Molecular Weight (g/mol) | 421.908 |
| MDL Number | MFCD00671558 |
| SMILES | CC1=CC=C(O1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| Synonym | 2,4-Bis(trichloromethyl)-6-[2-(5-methylfuran-2-yl)vinyl]-1,3,5-triazine |
| IUPAC Name | 2-[2-(5-methylfuran-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine |
| InChI Key | XOPKKHCDIAYUSK-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl6N3O |
4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine 98.0+%, TCI America™
CAS: 607740-08-9 Molecular Formula: C22H14Br2N2 Molecular Weight (g/mol): 466.176 MDL Number: MFCD16619323 InChI Key: DLXBSWIBLRUGFU-UHFFFAOYSA-N PubChem CID: 23139721 IUPAC Name: 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC(=C4)Br)Br
| PubChem CID | 23139721 |
|---|---|
| CAS | 607740-08-9 |
| Molecular Weight (g/mol) | 466.176 |
| MDL Number | MFCD16619323 |
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC(=C4)Br)Br |
| IUPAC Name | 4-(3,5-dibromophenyl)-2,6-diphenylpyrimidine |
| InChI Key | DLXBSWIBLRUGFU-UHFFFAOYSA-N |
| Molecular Formula | C22H14Br2N2 |
9-[3-(Dibenzofuran-2-yl)phenyl]-9H-carbazole 98.0+%, TCI America™
CAS: 1338446-77-7 Molecular Formula: C30H19NO Molecular Weight (g/mol): 409.488 InChI Key: YEWVLWWLYHXZLZ-UHFFFAOYSA-N PubChem CID: 58556666 IUPAC Name: 9-(3-dibenzofuran-2-ylphenyl)carbazole SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76
| PubChem CID | 58556666 |
|---|---|
| CAS | 1338446-77-7 |
| Molecular Weight (g/mol) | 409.488 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC(=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76 |
| IUPAC Name | 9-(3-dibenzofuran-2-ylphenyl)carbazole |
| InChI Key | YEWVLWWLYHXZLZ-UHFFFAOYSA-N |
| Molecular Formula | C30H19NO |
4-Bromo-2,6-pyridinedicarboxylic Acid Monohydrate 98.0+%, TCI America™
CAS: 162102-81-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD09033573 InChI Key: JVCWTTKJXQPITQ-UHFFFAOYSA-N PubChem CID: 15832860 IUPAC Name: 4-bromopyridine-2,6-dicarboxylic acid SMILES: C1=C(C=C(N=C1C(=O)O)C(=O)O)Br
| PubChem CID | 15832860 |
|---|---|
| CAS | 162102-81-0 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD09033573 |
| SMILES | C1=C(C=C(N=C1C(=O)O)C(=O)O)Br |
| IUPAC Name | 4-bromopyridine-2,6-dicarboxylic acid |
| InChI Key | JVCWTTKJXQPITQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
5-Amino-4-chloropyrimidine 97.0+%, TCI America™
CAS: 54660-78-5 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.547 MDL Number: MFCD06412561 InChI Key: LHGMCUVJFRBVBH-UHFFFAOYSA-N Synonym: 5-amino-4-chloropyrimidine,4-chloro-5-aminopyrimidine,4-chloranylpyrimidin-5-amine,5-pyrimidinamine, 4-chloro,4-chloro-5-amino-pyrimidine,acmc-209lid,4-chloro-5-pyrimidinamine,5-amino-6-chloropyrimidine,4-chloropyrimidine-5-amine,4-chloropyrimidin-5-ylamine PubChem CID: 13404541 IUPAC Name: 4-chloropyrimidin-5-amine SMILES: C1=C(C(=NC=N1)Cl)N
| PubChem CID | 13404541 |
|---|---|
| CAS | 54660-78-5 |
| Molecular Weight (g/mol) | 129.547 |
| MDL Number | MFCD06412561 |
| SMILES | C1=C(C(=NC=N1)Cl)N |
| Synonym | 5-amino-4-chloropyrimidine,4-chloro-5-aminopyrimidine,4-chloranylpyrimidin-5-amine,5-pyrimidinamine, 4-chloro,4-chloro-5-amino-pyrimidine,acmc-209lid,4-chloro-5-pyrimidinamine,5-amino-6-chloropyrimidine,4-chloropyrimidine-5-amine,4-chloropyrimidin-5-ylamine |
| IUPAC Name | 4-chloropyrimidin-5-amine |
| InChI Key | LHGMCUVJFRBVBH-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClN3 |
Pyridine Hydrochloride 98.0+%, TCI America™
CAS: 628-13-7 Molecular Formula: C5H6ClN Molecular Weight (g/mol): 115.56 MDL Number: MFCD00012802 InChI Key: AOJFQRQNPXYVLM-UHFFFAOYSA-N Synonym: pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride PubChem CID: 10176127 IUPAC Name: pyridine;hydrochloride SMILES: C1=CC=NC=C1.Cl
| PubChem CID | 10176127 |
|---|---|
| CAS | 628-13-7 |
| Molecular Weight (g/mol) | 115.56 |
| MDL Number | MFCD00012802 |
| SMILES | C1=CC=NC=C1.Cl |
| Synonym | pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride |
| IUPAC Name | pyridine;hydrochloride |
| InChI Key | AOJFQRQNPXYVLM-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN |
(R)-5-(Hydroxymethyl)-2-pyrrolidinone 98.0+%, TCI America™
CAS: 66673-40-3 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.132 MDL Number: MFCD00077791 InChI Key: HOBJEFOCIRXQKH-SCSAIBSYSA-N Synonym: r---5-hydroxymethyl-2-pyrrolidinone,d-pyroglutaminol,5r-5-hydroxymethyl pyrrolidin-2-one,r-5-hydroxymethyl pyrrolidin-2-one,r-5-hydroxymethyl-2-pyrrolidinone,r-5-hydroxymethyl-pyrrolidin-2-one,--d-pyroglutamol,r---5-hydroxymethylpyrrolidin-2-one,5-hydroxymethyl-2-pyrrolidinone PubChem CID: 7128291 IUPAC Name: (5R)-5-(hydroxymethyl)pyrrolidin-2-one SMILES: C1CC(=O)NC1CO
| PubChem CID | 7128291 |
|---|---|
| CAS | 66673-40-3 |
| Molecular Weight (g/mol) | 115.132 |
| MDL Number | MFCD00077791 |
| SMILES | C1CC(=O)NC1CO |
| Synonym | r---5-hydroxymethyl-2-pyrrolidinone,d-pyroglutaminol,5r-5-hydroxymethyl pyrrolidin-2-one,r-5-hydroxymethyl pyrrolidin-2-one,r-5-hydroxymethyl-2-pyrrolidinone,r-5-hydroxymethyl-pyrrolidin-2-one,--d-pyroglutamol,r---5-hydroxymethylpyrrolidin-2-one,5-hydroxymethyl-2-pyrrolidinone |
| IUPAC Name | (5R)-5-(hydroxymethyl)pyrrolidin-2-one |
| InChI Key | HOBJEFOCIRXQKH-SCSAIBSYSA-N |
| Molecular Formula | C5H9NO2 |
Xanthone 98.0+%, TCI America™
CAS: 90-47-1 Molecular Formula: C13H8O2 Molecular Weight (g/mol): 196.205 MDL Number: MFCD00005060 InChI Key: JNELGWHKGNBSMD-UHFFFAOYSA-N Synonym: xanthone,9h-xanthen-9-one,9-xanthenone,benzophenone oxide,9-oxoxanthene,genicide,xanthenone,9-xanthone,diphenylene ketone oxide,dibenzo-gamma-pyrone PubChem CID: 7020 ChEBI: CHEBI:37647 IUPAC Name: xanthen-9-one SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
| PubChem CID | 7020 |
|---|---|
| CAS | 90-47-1 |
| Molecular Weight (g/mol) | 196.205 |
| ChEBI | CHEBI:37647 |
| MDL Number | MFCD00005060 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 |
| Synonym | xanthone,9h-xanthen-9-one,9-xanthenone,benzophenone oxide,9-oxoxanthene,genicide,xanthenone,9-xanthone,diphenylene ketone oxide,dibenzo-gamma-pyrone |
| IUPAC Name | xanthen-9-one |
| InChI Key | JNELGWHKGNBSMD-UHFFFAOYSA-N |
| Molecular Formula | C13H8O2 |
2-Amino-4-methylthiazole Hydrochloride 98.0+%, TCI America™
CAS: 6142-15-0 Molecular Formula: C4H7ClN2S Molecular Weight (g/mol): 150.62 MDL Number: MFCD00035214 InChI Key: WUMMJVLSXMYDRW-UHFFFAOYSA-N PubChem CID: 80240 IUPAC Name: hydrogen 4-methyl-1,3-thiazol-2-amine chloride SMILES: [H+].[Cl-].CC1=CSC(N)=N1
| PubChem CID | 80240 |
|---|---|
| CAS | 6142-15-0 |
| Molecular Weight (g/mol) | 150.62 |
| MDL Number | MFCD00035214 |
| SMILES | [H+].[Cl-].CC1=CSC(N)=N1 |
| IUPAC Name | hydrogen 4-methyl-1,3-thiazol-2-amine chloride |
| InChI Key | WUMMJVLSXMYDRW-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClN2S |
2-Allyloxytetrahydropyran 95.0+%, TCI America™
CAS: 4203-49-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00154089 InChI Key: NRAKYXXDEXCVMV-UHFFFAOYNA-N Synonym: 2-allyloxytetrahydropyran,2-allyloxy tetrahydro-2h-pyran,2-allyloxy tetrahydropyran,2-prop-2-en-1-yloxy oxane,acmc-209jmz,2-allyloxy-tetrahydro-pyran,allyl tetrahydropyranyl ether,ksc490q3f,tetrahydro-2-allyloxy-2h-pyran PubChem CID: 4532059 IUPAC Name: 2-(prop-2-en-1-yloxy)oxane SMILES: C=CCOC1CCCCO1
| PubChem CID | 4532059 |
|---|---|
| CAS | 4203-49-0 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00154089 |
| SMILES | C=CCOC1CCCCO1 |
| Synonym | 2-allyloxytetrahydropyran,2-allyloxy tetrahydro-2h-pyran,2-allyloxy tetrahydropyran,2-prop-2-en-1-yloxy oxane,acmc-209jmz,2-allyloxy-tetrahydro-pyran,allyl tetrahydropyranyl ether,ksc490q3f,tetrahydro-2-allyloxy-2h-pyran |
| IUPAC Name | 2-(prop-2-en-1-yloxy)oxane |
| InChI Key | NRAKYXXDEXCVMV-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
7-Methylquinoline 98.0+%, TCI America™
CAS: 612-60-2 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006805 InChI Key: KDYVCOSVYOSHOL-UHFFFAOYSA-N Synonym: quinoline, 7-methyl,m-toluquinoline,unii-eow995k43c,7-methyl quinoline,ccris 2895,quinolinol,7-methyl,7-methyl-quinoline,7-methylchinolin,7-methylchinolin;,pubchem5811 PubChem CID: 11927 IUPAC Name: 7-methylquinoline SMILES: CC1=CC2=C(C=CC=N2)C=C1
| PubChem CID | 11927 |
|---|---|
| CAS | 612-60-2 |
| Molecular Weight (g/mol) | 143.189 |
| MDL Number | MFCD00006805 |
| SMILES | CC1=CC2=C(C=CC=N2)C=C1 |
| Synonym | quinoline, 7-methyl,m-toluquinoline,unii-eow995k43c,7-methyl quinoline,ccris 2895,quinolinol,7-methyl,7-methyl-quinoline,7-methylchinolin,7-methylchinolin;,pubchem5811 |
| IUPAC Name | 7-methylquinoline |
| InChI Key | KDYVCOSVYOSHOL-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |