Organoheterocyclic compounds
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(2,6-Dichloro-4-pyridyl)methanol, 95%, Thermo Scientific™
CAS: 101990-69-6 Molecular Formula: C6H5Cl2NO Molecular Weight (g/mol): 178.012 MDL Number: MFCD00052638 InChI Key: YDGJTFCKLFLWFM-UHFFFAOYSA-N Synonym: 2,6-dichloropyridine-4-methanol,2,6-dichloropyridin-4-yl methanol,2,6-dichloro-4-hydroxymethyl pyridine,2,6-dichloro-4-pyridyl methanol,4-pyridinemethanol, 2,6-dichloro,4-pyridinemethanol,2,6-dichloro,2,6-dichloro-4-pyridinyl methanol,2,6-dichloro-pyridin-4-yl-methanol,2,6-dichloro-4-pyridinemethanol,acmc-209zae PubChem CID: 2794840 IUPAC Name: (2,6-dichloropyridin-4-yl)methanol SMILES: C1=C(C=C(N=C1Cl)Cl)CO
| PubChem CID | 2794840 |
|---|---|
| CAS | 101990-69-6 |
| Molecular Weight (g/mol) | 178.012 |
| MDL Number | MFCD00052638 |
| SMILES | C1=C(C=C(N=C1Cl)Cl)CO |
| Synonym | 2,6-dichloropyridine-4-methanol,2,6-dichloropyridin-4-yl methanol,2,6-dichloro-4-hydroxymethyl pyridine,2,6-dichloro-4-pyridyl methanol,4-pyridinemethanol, 2,6-dichloro,4-pyridinemethanol,2,6-dichloro,2,6-dichloro-4-pyridinyl methanol,2,6-dichloro-pyridin-4-yl-methanol,2,6-dichloro-4-pyridinemethanol,acmc-209zae |
| IUPAC Name | (2,6-dichloropyridin-4-yl)methanol |
| InChI Key | YDGJTFCKLFLWFM-UHFFFAOYSA-N |
| Molecular Formula | C6H5Cl2NO |
8-Aminoquinoline, 98+%
CAS: 578-66-5 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00006809 InChI Key: WREVVZMUNPAPOV-UHFFFAOYSA-N Synonym: 8-aminoquinoline,8-quinolinamine,8-quinolylamine,quinoline, 8-amino,quinolin-8-ylamine,unii-u34eav21tg,8-amino quinoline,ccris 1683,u34eav21tg,8-amino-quinoline PubChem CID: 11359 IUPAC Name: quinolin-8-amine SMILES: C1=CC2=C(C(=C1)N)N=CC=C2
| PubChem CID | 11359 |
|---|---|
| CAS | 578-66-5 |
| Molecular Weight (g/mol) | 144.177 |
| MDL Number | MFCD00006809 |
| SMILES | C1=CC2=C(C(=C1)N)N=CC=C2 |
| Synonym | 8-aminoquinoline,8-quinolinamine,8-quinolylamine,quinoline, 8-amino,quinolin-8-ylamine,unii-u34eav21tg,8-amino quinoline,ccris 1683,u34eav21tg,8-amino-quinoline |
| IUPAC Name | quinolin-8-amine |
| InChI Key | WREVVZMUNPAPOV-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
4-Fluoro-2-methylpyridine, 96%
CAS: 766-16-5 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD04114145 InChI Key: LEJYGRVERQVBLB-UHFFFAOYSA-N Synonym: 4-fluoro-2-picoline,4-fluoro-2-methyl-pyridine,pubchem21038,pyridine,4-fluoro-2-methyl,4-fluoranyl-2-methyl-pyridine PubChem CID: 2762819 IUPAC Name: 4-fluoro-2-methylpyridine SMILES: CC1=NC=CC(=C1)F
| PubChem CID | 2762819 |
|---|---|
| CAS | 766-16-5 |
| Molecular Weight (g/mol) | 111.119 |
| MDL Number | MFCD04114145 |
| SMILES | CC1=NC=CC(=C1)F |
| Synonym | 4-fluoro-2-picoline,4-fluoro-2-methyl-pyridine,pubchem21038,pyridine,4-fluoro-2-methyl,4-fluoranyl-2-methyl-pyridine |
| IUPAC Name | 4-fluoro-2-methylpyridine |
| InChI Key | LEJYGRVERQVBLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
6-Amino-2-methylquinoline, 97%
CAS: 65079-19-8 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00052600 InChI Key: TYJFYUVDUUACKX-UHFFFAOYSA-N PubChem CID: 103148 IUPAC Name: 2-methylquinolin-6-amine SMILES: CC1=NC2=C(C=C1)C=C(C=C2)N
| PubChem CID | 103148 |
|---|---|
| CAS | 65079-19-8 |
| Molecular Weight (g/mol) | 158.204 |
| MDL Number | MFCD00052600 |
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)N |
| IUPAC Name | 2-methylquinolin-6-amine |
| InChI Key | TYJFYUVDUUACKX-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
(+/-)-1-Boc-3-hydroxypyrrolidine, 97%
CAS: 103057-44-9 Molecular Formula: C9H17NO3 Molecular Weight (g/mol): 187.239 MDL Number: MFCD04038535 InChI Key: APCBTRDHCDOPNY-UHFFFAOYSA-N Synonym: 1-boc-3-hydroxypyrrolidine,1-boc-3-pyrrolidinol,n-boc-3-hydroxypyrrolidine,n-boc-3-pyrrolidinol,1-n-boc-3-hydroxypyrrolidine,1-pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-pyrrolidinol,3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-hydroxypyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-hydroxypyrrolidine PubChem CID: 4416939 IUPAC Name: tert-butyl 3-hydroxypyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(C1)O
| PubChem CID | 4416939 |
|---|---|
| CAS | 103057-44-9 |
| Molecular Weight (g/mol) | 187.239 |
| MDL Number | MFCD04038535 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)O |
| Synonym | 1-boc-3-hydroxypyrrolidine,1-boc-3-pyrrolidinol,n-boc-3-hydroxypyrrolidine,n-boc-3-pyrrolidinol,1-n-boc-3-hydroxypyrrolidine,1-pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-pyrrolidinol,3-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-hydroxypyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-hydroxypyrrolidine |
| IUPAC Name | tert-butyl 3-hydroxypyrrolidine-1-carboxylate |
| InChI Key | APCBTRDHCDOPNY-UHFFFAOYSA-N |
| Molecular Formula | C9H17NO3 |
4-Bromo-2,1,3-benzothiadiazole, 97%, Thermo Scientific™
CAS: 22034-13-5 Molecular Formula: C6H3BrN2S Molecular Weight (g/mol): 215.068 MDL Number: MFCD00614355 InChI Key: KYKBVPGDKGABHY-UHFFFAOYSA-N Synonym: 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo PubChem CID: 736492 IUPAC Name: 4-bromo-2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C(=C1)Br
| PubChem CID | 736492 |
|---|---|
| CAS | 22034-13-5 |
| Molecular Weight (g/mol) | 215.068 |
| MDL Number | MFCD00614355 |
| SMILES | C1=CC2=NSN=C2C(=C1)Br |
| Synonym | 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo |
| IUPAC Name | 4-bromo-2,1,3-benzothiadiazole |
| InChI Key | KYKBVPGDKGABHY-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2S |
4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolinyl)ethyl]aniline, 97%
CAS: 82925-02-8 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 MDL Number: MFCD04974539 InChI Key: DGOOLMGPMIHRFY-UHFFFAOYSA-N Synonym: 4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine PubChem CID: 10041227 IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline SMILES: COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1
| PubChem CID | 10041227 |
|---|---|
| CAS | 82925-02-8 |
| Molecular Weight (g/mol) | 312.41 |
| MDL Number | MFCD04974539 |
| SMILES | COC1=C(OC)C=C2CN(CCC3=CC=C(N)C=C3)CCC2=C1 |
| Synonym | 4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl aniline,4-2-6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl ethyl aniline,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl-benzenamine,4-2-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl ethyl aniline,benzenamine,4-2-3,4-dihydro-6,7-dimethoxy-2 1h-isoquinolinyl ethyl,4-2-6,7-dimethoxy-3,4-dihydroisoquinoline-2 1h-yl-ethyl-benzenamine,4-2-1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolyl ethyl benzenamine,4-2-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl ethyl benzenamine,4-2-6,7-dimethoxy-3,4-dihydroisoquinolin-2 1h-yl ethyl benzenamine |
| IUPAC Name | 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline |
| InChI Key | DGOOLMGPMIHRFY-UHFFFAOYSA-N |
| Molecular Formula | C19H24N2O2 |
2-Bromobenzo[b]thiophene, ≥97%, Thermo Scientific™
CAS: 5394-13-8 Molecular Formula: C8H5BrS Molecular Weight (g/mol): 213.092 MDL Number: MFCD08435846 InChI Key: WIFMYMXKTAVDSQ-UHFFFAOYSA-N Synonym: 2-bromobenzo b thiophene,benzo b thiophene, 2-bromo,2-bromobenzothiophene,bromobenzothiophene,2-bromobenzthiophene,bromobenzo b thiophene,2-bromo-benzo b thiophene,2-bromobenzo b-thiophene PubChem CID: 94786 IUPAC Name: 2-bromo-1-benzothiophene SMILES: C1=CC=C2C(=C1)C=C(S2)Br
| PubChem CID | 94786 |
|---|---|
| CAS | 5394-13-8 |
| Molecular Weight (g/mol) | 213.092 |
| MDL Number | MFCD08435846 |
| SMILES | C1=CC=C2C(=C1)C=C(S2)Br |
| Synonym | 2-bromobenzo b thiophene,benzo b thiophene, 2-bromo,2-bromobenzothiophene,bromobenzothiophene,2-bromobenzthiophene,bromobenzo b thiophene,2-bromo-benzo b thiophene,2-bromobenzo b-thiophene |
| IUPAC Name | 2-bromo-1-benzothiophene |
| InChI Key | WIFMYMXKTAVDSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrS |
Thermo Scientific Chemicals Atracurium besylate, 96%
CAS: 64228-81-5 Molecular Formula: C53H72N2O12·2C6H5O3S Molecular Weight (g/mol): 1243.49 InChI Key: XXZSQOVSEBAPGS-UHFFFAOYSA-L Synonym: atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a PubChem CID: 47320 ChEBI: CHEBI:2915 IUPAC Name: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
| PubChem CID | 47320 |
|---|---|
| CAS | 64228-81-5 |
| Molecular Weight (g/mol) | 1243.49 |
| ChEBI | CHEBI:2915 |
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] |
| Synonym | atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a |
| IUPAC Name | benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate |
| InChI Key | XXZSQOVSEBAPGS-UHFFFAOYSA-L |
| Molecular Formula | C53H72N2O12·2C6H5O3S |
2-Methyl-2-(4-methylphenyl)morpholine, 97%
CAS: 902836-81-1 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD08060961 InChI Key: NQYMBSUCKZVKFF-UHFFFAOYSA-N Synonym: 2-methyl-2-p-tolyl morpholine,2-methyl-2-4-methylphenyl morpholine,2-methyl-2-p-tolylmorpholine,2-methyl-2-p-tolyl-morpholine,2-4-methylphenyl-2-methylmorpholine,morpholine, 2-methyl-2-4-methylphenyl PubChem CID: 24208807 IUPAC Name: 2-methyl-2-(4-methylphenyl)morpholine SMILES: CC1=CC=C(C=C1)C2(CNCCO2)C
| PubChem CID | 24208807 |
|---|---|
| CAS | 902836-81-1 |
| Molecular Weight (g/mol) | 191.274 |
| MDL Number | MFCD08060961 |
| SMILES | CC1=CC=C(C=C1)C2(CNCCO2)C |
| Synonym | 2-methyl-2-p-tolyl morpholine,2-methyl-2-4-methylphenyl morpholine,2-methyl-2-p-tolylmorpholine,2-methyl-2-p-tolyl-morpholine,2-4-methylphenyl-2-methylmorpholine,morpholine, 2-methyl-2-4-methylphenyl |
| IUPAC Name | 2-methyl-2-(4-methylphenyl)morpholine |
| InChI Key | NQYMBSUCKZVKFF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
2-Amino-6-chloropurine, 99%
CAS: 10310-21-1 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00075252 InChI Key: RYYIULNRIVUMTQ-UHFFFAOYSA-N Synonym: 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine PubChem CID: 5360349 ChEBI: CHEBI:72345 IUPAC Name: 6-chloro-7H-purin-2-amine SMILES: NC1=NC(Cl)=C2NC=NC2=N1
| PubChem CID | 5360349 |
|---|---|
| CAS | 10310-21-1 |
| Molecular Weight (g/mol) | 169.57 |
| ChEBI | CHEBI:72345 |
| MDL Number | MFCD00075252 |
| SMILES | NC1=NC(Cl)=C2NC=NC2=N1 |
| Synonym | 2-amino-6-chloropurine,6-chloroguanine,6-chloro-9h-purin-2-amine,6-chloro-2-aminopurine,2-amino-6-chlorpurine,1h-purin-2-amine, 6-chloro,purine, 2-amino-6-chloro,6-chloro-7h-purin-2-ylamine,2-amino-6-chloro-purin,2-amino-6-chloro-purine |
| IUPAC Name | 6-chloro-7H-purin-2-amine |
| InChI Key | RYYIULNRIVUMTQ-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClN5 |
5-Bromonicotinic acid, 98%
CAS: 20826-04-4 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00009783 InChI Key: FQIUCPGDKPXSLL-UHFFFAOYSA-N Synonym: 5-bromonicotinic acid,5-bromo nicotinic acid,5-bromo-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 5-bromo,nicotinic acid, 5-bromo,5-bromo-nicotinic acid,3-bromo-5-pyridine carboxylic acid,3-bromo pyridine-5-carboxylic acid,pubchem1211,acmc-209fev PubChem CID: 88707 IUPAC Name: 5-bromopyridine-3-carboxylic acid SMILES: OC(=O)C1=CN=CC(Br)=C1
| PubChem CID | 88707 |
|---|---|
| CAS | 20826-04-4 |
| Molecular Weight (g/mol) | 202.01 |
| MDL Number | MFCD00009783 |
| SMILES | OC(=O)C1=CN=CC(Br)=C1 |
| Synonym | 5-bromonicotinic acid,5-bromo nicotinic acid,5-bromo-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 5-bromo,nicotinic acid, 5-bromo,5-bromo-nicotinic acid,3-bromo-5-pyridine carboxylic acid,3-bromo pyridine-5-carboxylic acid,pubchem1211,acmc-209fev |
| IUPAC Name | 5-bromopyridine-3-carboxylic acid |
| InChI Key | FQIUCPGDKPXSLL-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
4,4-Dimethyl-2-pyrrolidinone, 95%
CAS: 66899-02-3 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD09864496 InChI Key: HGVPKAGCVCGRDQ-UHFFFAOYSA-N PubChem CID: 637593 IUPAC Name: 4,4-dimethylpyrrolidin-2-one SMILES: CC1(CC(=O)NC1)C
| PubChem CID | 637593 |
|---|---|
| CAS | 66899-02-3 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD09864496 |
| SMILES | CC1(CC(=O)NC1)C |
| IUPAC Name | 4,4-dimethylpyrrolidin-2-one |
| InChI Key | HGVPKAGCVCGRDQ-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
Benzoxazole, 97+%
CAS: 273-53-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00005765 InChI Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Synonym: benzoxazole,1-oxa-3-azaindene,1-oxa-3-aza-1h-indene,benzo d oxazole,benzooxazole,usaf ek-5017,unii-j233y1i55i,benzoxazol,benzoxazoline,benzothiazoie PubChem CID: 9228 ChEBI: CHEBI:38814 IUPAC Name: 1,3-benzoxazole SMILES: O1C=NC2=CC=CC=C12
| PubChem CID | 9228 |
|---|---|
| CAS | 273-53-0 |
| Molecular Weight (g/mol) | 119.12 |
| ChEBI | CHEBI:38814 |
| MDL Number | MFCD00005765 |
| SMILES | O1C=NC2=CC=CC=C12 |
| Synonym | benzoxazole,1-oxa-3-azaindene,1-oxa-3-aza-1h-indene,benzo d oxazole,benzooxazole,usaf ek-5017,unii-j233y1i55i,benzoxazol,benzoxazoline,benzothiazoie |
| IUPAC Name | 1,3-benzoxazole |
| InChI Key | BCMCBBGGLRIHSE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |