Organoheterocyclic compounds
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(1-Thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methylamine, 97%, Thermo Scientific™
CAS: 937795-94-3 Molecular Formula: C12H16N4S Molecular Weight (g/mol): 248.35 MDL Number: MFCD09787494 InChI Key: ZKNFKYHZGAWSEG-UHFFFAOYSA-N Synonym: 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methylamine,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanamine,1-1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanamine,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methylamine,4-4-aminomethyl piperidin-1-yl thieno 3,2-d pyrimidine PubChem CID: 24229708 SMILES: NCC1CCN(CC1)C1=C2SC=CC2=NC=N1
| PubChem CID | 24229708 |
|---|---|
| CAS | 937795-94-3 |
| Molecular Weight (g/mol) | 248.35 |
| MDL Number | MFCD09787494 |
| SMILES | NCC1CCN(CC1)C1=C2SC=CC2=NC=N1 |
| Synonym | 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methylamine,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanamine,1-1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanamine,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methylamine,4-4-aminomethyl piperidin-1-yl thieno 3,2-d pyrimidine |
| InChI Key | ZKNFKYHZGAWSEG-UHFFFAOYSA-N |
| Molecular Formula | C12H16N4S |
3-Amino-4-iodo-1H-indazole, 95%, Thermo Scientific™
CAS: 599191-73-8 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD03426697 InChI Key: OEQIVIYSUJXCFG-UHFFFAOYSA-N Synonym: 4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole PubChem CID: 4057787 IUPAC Name: 4-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=CC(I)=C12
| PubChem CID | 4057787 |
|---|---|
| CAS | 599191-73-8 |
| Molecular Weight (g/mol) | 259.05 |
| MDL Number | MFCD03426697 |
| SMILES | NC1=NNC2=CC=CC(I)=C12 |
| Synonym | 4-iodo-1h-indazol-3-ylamine,3-amino-4-iodo-1h-indazole,1h-indazol-3-amine, 4-iodo,3-amino-4-iodoindazole,4-iodo-1h-indazol-amine,ksc268o0n,4-iodo-1h-indazole-3-amine,4-iodo-1h-indazole-3-ylamine,3-amino-4-iodo-indazole |
| IUPAC Name | 4-iodo-1H-indazol-3-amine |
| InChI Key | OEQIVIYSUJXCFG-UHFFFAOYSA-N |
| Molecular Formula | C7H6IN3 |
Thermo Scientific Chemicals Fluorescein diacetate, 97%, pure
CAS: 596-09-8 Molecular Formula: C24H16O7 Molecular Weight (g/mol): 416.39 MDL Number: MFCD00005062 InChI Key: CHADEQDQBURGHL-UHFFFAOYSA-N Synonym: fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate PubChem CID: 65047 IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3
| PubChem CID | 65047 |
|---|---|
| CAS | 596-09-8 |
| Molecular Weight (g/mol) | 416.39 |
| MDL Number | MFCD00005062 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3 |
| Synonym | fluorescein diacetate,3,6-diacetoxyfluoran,diacetylfluorescein,di-o-acetylfluorescein,fluorescein, diacetate,3',6'-diacetylfluorescein,unii-yl39r93pre,yl39r93pre,spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy,3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate |
| IUPAC Name | (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate |
| InChI Key | CHADEQDQBURGHL-UHFFFAOYSA-N |
| Molecular Formula | C24H16O7 |
Fenbendazole, USP, 98-101%, Spectrum™ Chemical
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CAS: 43210-67-9 Molecular Formula: C15H13N3O2S Molecular Weight (g/mol): 299.35 InChI Key: HDDSHPAODJUKPD-UHFFFAOYSA-N IUPAC Name: methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1
| CAS | 43210-67-9 |
|---|---|
| Molecular Weight (g/mol) | 299.35 |
| SMILES | COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1 |
| IUPAC Name | methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate |
| InChI Key | HDDSHPAODJUKPD-UHFFFAOYSA-N |
| Molecular Formula | C15H13N3O2S |
4-Benzyl-4-hydroxypiperidine, 97%
CAS: 51135-96-7 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00023147 InChI Key: KJZBZOFESQSBCV-UHFFFAOYSA-N Synonym: 4-benzyl-4-hydroxypiperidine,4-piperidinol, 4-benzyl,4-benzyl-4-piperidinol,4-piperidinol, 4-phenylmethyl,acmc-20amoy,pubchem16262,4benzyl-piperidin-4-ol,maybridge3_002978,4-benzyl-piperidin-4-ol,4-benzyl-4-piperidinol # PubChem CID: 98152 IUPAC Name: 4-benzylpiperidin-4-ol SMILES: C1CNCCC1(CC2=CC=CC=C2)O
| PubChem CID | 98152 |
|---|---|
| CAS | 51135-96-7 |
| Molecular Weight (g/mol) | 191.274 |
| MDL Number | MFCD00023147 |
| SMILES | C1CNCCC1(CC2=CC=CC=C2)O |
| Synonym | 4-benzyl-4-hydroxypiperidine,4-piperidinol, 4-benzyl,4-benzyl-4-piperidinol,4-piperidinol, 4-phenylmethyl,acmc-20amoy,pubchem16262,4benzyl-piperidin-4-ol,maybridge3_002978,4-benzyl-piperidin-4-ol,4-benzyl-4-piperidinol # |
| IUPAC Name | 4-benzylpiperidin-4-ol |
| InChI Key | KJZBZOFESQSBCV-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
4-(1-Methyl-1H-pyrazol-3-yl)aniline, 97%, Thermo Scientific™
CAS: 916766-82-0 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD03407387 InChI Key: WEFJHPBVOKVCLZ-UHFFFAOYSA-N PubChem CID: 18526375 IUPAC Name: 4-(1-methylpyrazol-3-yl)aniline SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)N
| PubChem CID | 18526375 |
|---|---|
| CAS | 916766-82-0 |
| Molecular Weight (g/mol) | 173.219 |
| MDL Number | MFCD03407387 |
| SMILES | CN1C=CC(=N1)C2=CC=C(C=C2)N |
| IUPAC Name | 4-(1-methylpyrazol-3-yl)aniline |
| InChI Key | WEFJHPBVOKVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3 |
4-Iodotetrahydro-2H-pyran, ≥97%, Thermo Scientific™
CAS: 25637-18-7 Molecular Formula: C5H9IO Molecular Weight (g/mol): 212.03 MDL Number: MFCD06797467 InChI Key: JTRNQTFTRDPITG-UHFFFAOYSA-N Synonym: 4-iodotetrahydro-2h-pyran,4-iodo-tetrahydro-2h-pyran,4-iodotetrahydropyran,4-iodo-tetrahydropyran,4-iodo-tetrahydro-pyran,2h-pyran, tetrahydro-4-iodo,tetrahydro-4-iodo-2h-pyran,4-iodanyloxane,4-iodooxacyclohexane,4-iodopentahydropyran PubChem CID: 2795506 IUPAC Name: 4-iodooxane SMILES: IC1CCOCC1
| PubChem CID | 2795506 |
|---|---|
| CAS | 25637-18-7 |
| Molecular Weight (g/mol) | 212.03 |
| MDL Number | MFCD06797467 |
| SMILES | IC1CCOCC1 |
| Synonym | 4-iodotetrahydro-2h-pyran,4-iodo-tetrahydro-2h-pyran,4-iodotetrahydropyran,4-iodo-tetrahydropyran,4-iodo-tetrahydro-pyran,2h-pyran, tetrahydro-4-iodo,tetrahydro-4-iodo-2h-pyran,4-iodanyloxane,4-iodooxacyclohexane,4-iodopentahydropyran |
| IUPAC Name | 4-iodooxane |
| InChI Key | JTRNQTFTRDPITG-UHFFFAOYSA-N |
| Molecular Formula | C5H9IO |
Ethyl 7-azaindole-4-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 1261588-72-0 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.202 MDL Number: MFCD15071133 InChI Key: CKCBQXQNAUHBDX-UHFFFAOYSA-N PubChem CID: 56773892 IUPAC Name: ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate SMILES: CCOC(=O)C1=C2C=CNC2=NC=C1
| PubChem CID | 56773892 |
|---|---|
| CAS | 1261588-72-0 |
| Molecular Weight (g/mol) | 190.202 |
| MDL Number | MFCD15071133 |
| SMILES | CCOC(=O)C1=C2C=CNC2=NC=C1 |
| IUPAC Name | ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate |
| InChI Key | CKCBQXQNAUHBDX-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |
5-Amino-1H-indazole, 98%
CAS: 19335-11-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD00037975 InChI Key: XBTOSRUBOXQWBO-UHFFFAOYSA-N Synonym: 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole PubChem CID: 88012 IUPAC Name: 1H-indazol-5-amine SMILES: C1=CC2=C(C=C1N)C=NN2
| PubChem CID | 88012 |
|---|---|
| CAS | 19335-11-6 |
| Molecular Weight (g/mol) | 133.154 |
| MDL Number | MFCD00037975 |
| SMILES | C1=CC2=C(C=C1N)C=NN2 |
| Synonym | 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole |
| IUPAC Name | 1H-indazol-5-amine |
| InChI Key | XBTOSRUBOXQWBO-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
5-Bromo-1-methyl-1H-indole-3-carboxylic acid, 97%
CAS: 400071-95-6 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.08 MDL Number: MFCD14706162 InChI Key: WQZLFFJMRKTCMU-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid; PubChem CID: 11032413 IUPAC Name: 5-bromo-1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O
| PubChem CID | 11032413 |
|---|---|
| CAS | 400071-95-6 |
| Molecular Weight (g/mol) | 254.08 |
| MDL Number | MFCD14706162 |
| SMILES | CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O |
| Synonym | 5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid; |
| IUPAC Name | 5-bromo-1-methylindole-3-carboxylic acid |
| InChI Key | WQZLFFJMRKTCMU-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO2 |
Chloroxazone, 98%
CAS: 95-25-0 Molecular Formula: C7H4ClNO2 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00005717 InChI Key: TZFWDZFKRBELIQ-UHFFFAOYSA-N Synonym: chlorzoxazone,chlorzoxazon,paraflex,chloroxazone,5-chloro-2-benzoxazolone,biomioran,escoflex,myoflexin,myoflexine,pathorysin PubChem CID: 2733 ChEBI: CHEBI:3655 IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2
| PubChem CID | 2733 |
|---|---|
| CAS | 95-25-0 |
| Molecular Weight (g/mol) | 169.57 |
| ChEBI | CHEBI:3655 |
| MDL Number | MFCD00005717 |
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)O2 |
| Synonym | chlorzoxazone,chlorzoxazon,paraflex,chloroxazone,5-chloro-2-benzoxazolone,biomioran,escoflex,myoflexin,myoflexine,pathorysin |
| IUPAC Name | 5-chloro-3H-1,3-benzoxazol-2-one |
| InChI Key | TZFWDZFKRBELIQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO2 |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
2-Aminopyridine, 99+%
CAS: 504-29-0 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00006312 InChI Key: ICSNLGPSRYBMBD-UHFFFAOYSA-N Synonym: 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino PubChem CID: 10439 IUPAC Name: pyridin-2-amine SMILES: C1=CC=NC(=C1)N
| PubChem CID | 10439 |
|---|---|
| CAS | 504-29-0 |
| Molecular Weight (g/mol) | 94.12 |
| MDL Number | MFCD00006312 |
| SMILES | C1=CC=NC(=C1)N |
| Synonym | 2-aminopyridine,2-pyridinamine,2-pyridylamine,aminopyridine,pyridinamine,o-aminopyridine,2-aminopyridin,2-aminopryidine,amino-2 pyridine,pyridine, 2-amino |
| IUPAC Name | pyridin-2-amine |
| InChI Key | ICSNLGPSRYBMBD-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
2-Fluoroadenine, 97%
CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1
| PubChem CID | 12790 |
|---|---|
| CAS | 700-49-2 |
| Molecular Weight (g/mol) | 153.12 |
| ChEBI | CHEBI:72457 |
| MDL Number | MFCD01632749 |
| SMILES | NC1=C2NC=NC2=NC(F)=N1 |
| Synonym | 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro |
| IUPAC Name | 2-fluoro-7H-purin-6-amine |
| InChI Key | WKMPTBDYDNUJLF-UHFFFAOYSA-N |
| Molecular Formula | C5H4FN5 |
Rivaroxaban, 98%
CAS: 366789-02-8 Molecular Formula: C19H18ClN3O5S Molecular Weight (g/mol): 435.88 MDL Number: MFCD11974010 InChI Key: KGFYHTZWPPHNLQ-UHFFFAOYNA-N Synonym: rivaroxaban,xarelto,s-5-chloro-n-2-oxo-3-4-3-oxomorpholino phenyl oxazolidin-5-yl methyl thiophene-2-carboxamide,unii-9ndf7jz4m3,xarelto tn,9ndf7jz4m3,5-chloro-n-5s-2-oxo-3-4-3-oxomorpholin-4-yl phenyl-1,3-oxazolidin-5-yl methyl thiophene-2-carboxamide,2-thiophenecarboxamide, 5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl,5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl-2-thiophenecarboxamide PubChem CID: 9875401 ChEBI: CHEBI:68579 IUPAC Name: 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide SMILES: ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
| PubChem CID | 9875401 |
|---|---|
| CAS | 366789-02-8 |
| Molecular Weight (g/mol) | 435.88 |
| ChEBI | CHEBI:68579 |
| MDL Number | MFCD11974010 |
| SMILES | ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O |
| Synonym | rivaroxaban,xarelto,s-5-chloro-n-2-oxo-3-4-3-oxomorpholino phenyl oxazolidin-5-yl methyl thiophene-2-carboxamide,unii-9ndf7jz4m3,xarelto tn,9ndf7jz4m3,5-chloro-n-5s-2-oxo-3-4-3-oxomorpholin-4-yl phenyl-1,3-oxazolidin-5-yl methyl thiophene-2-carboxamide,2-thiophenecarboxamide, 5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl,5-chloro-n-5s-2-oxo-3-4-3-oxo-4-morpholinyl phenyl-5-oxazolidinyl methyl-2-thiophenecarboxamide |
| IUPAC Name | 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide |
| InChI Key | KGFYHTZWPPHNLQ-UHFFFAOYNA-N |
| Molecular Formula | C19H18ClN3O5S |