Organoheterocyclic compounds
4-Methoxy-3-pyrrolin-2-one, 99%
CAS: 69778-83-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00071564 InChI Key: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one SMILES: COC1=CC(=O)NC1
2,5-Dimethylthiophene, 98.5%
CAS: 638-02-8 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00005452 InChI Key: GWQOOADXMVQEFT-UHFFFAOYSA-N PubChem CID: 12514 IUPAC Name: 2,5-dimethylthiophene SMILES: CC1=CC=C(S1)C
2-Chloropyridine-3-boronic acid, 96%
CAS: 381248-04-0 Molecular Formula: C5H5BClNO2 Molecular Weight (g/mol): 157.36 MDL Number: MFCD03094997 InChI Key: VRDAOVQZVXYRNH-UHFFFAOYSA-N Synonym: 2-chloropyridine-3-boronic acid,2-chloropyridin-3-yl boronic acid,2-chloro-3-pyridylboronic acid,2-chloro-3-pyridineboronic acid,2-chloropyridine-3-boronicacid,2-chloropyridin-3-yl-3-boronic acid,2-chloro-3-pyridyl boronic acid,boronic acid, 2-chloro-3-pyridinyl,pubchem5078 PubChem CID: 2762704 IUPAC Name: (2-chloropyridin-3-yl)boronic acid SMILES: OB(O)C1=CC=CN=C1Cl
2-Iodo-3-methylpyridine, 97%
CAS: 22282-58-2 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD04039350 InChI Key: PTBOOHAPESUXGV-UHFFFAOYSA-N PubChem CID: 339045 IUPAC Name: 2-iodo-3-methylpyridine SMILES: CC1=CC=CN=C1I
4-Chloropyridine-2-carboxylic acid, 94%
CAS: 5470-22-4 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00191400 InChI Key: NNMYRMGMVLMQAY-UHFFFAOYSA-N Synonym: 4-chloropicolinic acid,4-chloro-pyridine-2-carboxylic acid,4-chloro-2-pyridinecarboxylic acid,4-chloro-2-picolinic acid,2-pyridinecarboxylic acid, 4-chloro,4-chloro picolinic acid,2-carboxy-4-chloropyridine,chloropicolinicacid,pubchem12731,acmc-1bn7z PubChem CID: 230890 IUPAC Name: 4-chloropyridine-2-carboxylic acid SMILES: C1=CN=C(C=C1Cl)C(=O)O
gamma-Decanolactone, 98%
CAS: 706-14-9 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00005404 InChI Key: IFYYFLINQYPWGJ-UHFFFAOYNA-N Synonym: gamma-decalactone,4-decanolide,gamma-decanolactone,2 3h-furanone, 5-hexyldihydro,5-hexyldihydrofuran-2 3h-one,decan-4-olide,5-hexyldihydro-2 3h-furanone,decanolide-1,4,2-decalactone,4-hexyl-4-butanolide PubChem CID: 12813 IUPAC Name: 5-hexyloxolan-2-one SMILES: CCCCCCC1CCC(=O)O1
5-Chloro-2-mercaptobenzimidazole, 98%
CAS: 25369-78-2 Molecular Formula: C7H5ClN2S Molecular Weight (g/mol): 184.641 MDL Number: MFCD01658762 InChI Key: ZZIHEYOZBRPWMB-UHFFFAOYSA-N Synonym: 5-chloro-2-mercaptobenzimidazole,6-chloro-1h-benzimidazole-2-thiol,5-chloro-2-benzimidazolethiol,2-benzimidazolinethione, 5-chloro,5-chloro-1,3-dihydro-2h-benzimidazole-2-thione,5-chloro-1h-benzimidazole-2-thiol,2-benzimidazolethiol, 5-chloro,5-chloro-2 3-benzimidazolethione,6-chloro-1h-benzoimidazole-2-thiol,6-chloro-1h-benzo d imidazole-2-thiol PubChem CID: 2056429 IUPAC Name: 5-chloro-1,3-dihydrobenzimidazole-2-thione SMILES: C1=CC2=C(C=C1Cl)NC(=S)N2
3,5-Dibromo-4-methoxypyridine, 98%
CAS: 650140-84-4 Molecular Formula: C6H5Br2NO2 Molecular Weight (g/mol): 282.919 MDL Number: MFCD13185524 InChI Key: KAYQEYHOGFRTAL-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-methoxypyridine 1-oxide,3,5-dibromo-4-methoxypyridine-n-oxide,3,5-dibromo-4-methoxypyridin-1-ium-1-olate,pubchem6614 PubChem CID: 2784723 IUPAC Name: 3,5-dibromo-4-methoxy-1-oxidopyridin-1-ium SMILES: COC1=C(C=[N+](C=C1Br)[O-])Br
Methyl 5-bromo-2-chloronicotinate, 98%
CAS: 78686-79-0 Molecular Formula: C7H5BrClNO2 Molecular Weight (g/mol): 250.476 MDL Number: MFCD03844848 InChI Key: MOMQDEDQGJAKII-UHFFFAOYSA-N PubChem CID: 2763343 IUPAC Name: methyl 5-bromo-2-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CC(=CN=C1Cl)Br
3-Chloro-2-fluoro-5-hydroxypyridine, 98%, Thermo Scientific Chemicals
CAS: 209328-72-3 Molecular Formula: C5H3ClFNO Molecular Weight (g/mol): 147.533 MDL Number: MFCD08061311 InChI Key: IETLNKVWDZYCPN-UHFFFAOYSA-N PubChem CID: 22451555 IUPAC Name: 5-chloro-6-fluoropyridin-3-ol SMILES: C1=C(C=NC(=C1Cl)F)O
3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine, 95%, Thermo Scientific Chemicals
CAS: 76041-71-9 Molecular Formula: C6H3ClF3NO Molecular Weight (g/mol): 197.541 MDL Number: MFCD00153095 InChI Key: AJPOOWWMZOPUCG-UHFFFAOYSA-N Synonym: 3-chloro-5-trifluoromethyl pyridin-2-ol,3-chloro-2-hydroxy-5-trifluoromethyl pyridine,3-chloro-5-trifluoromethyl-2-pyridinol,3-chloro-5-trifluoromethyl-1,2-dihydropyridin-2-one,3-chloro-5-trifluoromethyl-1h-pyridin-2-one,2 1h-pyridinone, 3-chloro-5-trifluoromethyl,2-hydroxy-3-chloro-5-trifluoromethyl pyridine,3-chloro-5-trifluoromethyl pyridin-2 1h-one,3-chloro-5-trifluoromethyl hydropyridin-2-one,pubchem23825 PubChem CID: 725436 IUPAC Name: 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one SMILES: C1=C(C(=O)NC=C1C(F)(F)F)Cl
5,6-Dichloropyridine-2-carboxylic acid, 98%
CAS: 88912-24-7 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 191.995 MDL Number: MFCD13185546 InChI Key: QOJNAEPFSUYAFL-UHFFFAOYSA-N Synonym: 5,6-dichloropicolinic acid,5,6-dichloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 5,6-dichloro,2,3-dichloro-6-carboxypyridine,2-pyridinecarboxylicacid, 5,6-dichloro,acmc-209vdz,2,3-dichloro-6-pyridinecarboxylicacid,5,6-dichloro-pyridine-2-carboxylic acid PubChem CID: 13278016 IUPAC Name: 5,6-dichloropyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1Cl)Cl)C(=O)O
Vitamin B12, MP Biomedicals™
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
6-Chloro-7-azaindole, 95%
CAS: 55052-27-2 Molecular Formula: C7H5ClN2 Molecular Weight (g/mol): 152.58 MDL Number: MFCD06659666 InChI Key: DSCOSIUAQUDGJM-UHFFFAOYSA-N Synonym: 6-chloro-1h-pyrrolo 2,3-b pyridine,6-chloro-7-azaindole,1h-pyrrolo 2,3-b pyridine, 6-chloro,7-aza-6-chloroindole,pubchem18673,ksc494a8j,6-chloranyl-1h-pyrrolo 2,3-b pyridine PubChem CID: 11344118 IUPAC Name: 6-chloro-1H-pyrrolo[2,3-b]pyridine SMILES: ClC1=CC=C2C=CNC2=N1
5-Chloro-6-hydroxynicotinic acid, 98%
CAS: 54127-63-8 Molecular Formula: C6H3ClNO3 Molecular Weight (g/mol): 172.54 MDL Number: MFCD00052950 InChI Key: OLTRUTPHSBQWAZ-UHFFFAOYSA-M Synonym: 5-chloro-6-hydroxynicotinic acid,3-chloro-2-hydroxypyridine-5-carboxylic acid,5-chloro-6-hydroxypyridine-3-carboxylic acid,5-chloro-6-hydroxy-3-pyridinecarboxylic acid,5-chloro-6-hydroxynicotinicacid,3-pyridinecarboxylic acid, 5-chloro-1,6-dihydro-6-oxo,5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid,pubchem10618,maybridge1_008981,acmc-1b1yw PubChem CID: 599541 IUPAC Name: 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid SMILES: [O-]C(=O)C1=CNC(=O)C(Cl)=C1