Organoheterocyclic compounds
5-Amino-1-methyl-1H-indazole, 97%, Thermo Scientific™
CAS: 50593-24-3 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD03305455 InChI Key: PYOFNPHTKBSXOM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-5-amine,5-amino-1-methyl-1h-indazole,1-methyl-1h-indazol-5-ylamine,1h-indazol-5-amine, 1-methyl,5-amino-1-methylindazole,1-methyl-1h-indazole-5-amine,pubchem20587,1-methyl-5-aminoindazol,1-methyl-5-indazolamine,1-methyl-5-aminoindazole PubChem CID: 2768032 IUPAC Name: 1-methylindazol-5-amine SMILES: CN1C2=C(C=C(C=C2)N)C=N1
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan, 97%
CAS: 1073355-14-2 Molecular Formula: C12H15BN2O3 Molecular Weight (g/mol): 246.07 MDL Number: MFCD09842717 InChI Key: MQXANAGMQAYTMV-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzo c 1,2,5 oxadiazole,benzofurazan-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzofurazan-5-boronic acid, pinacol ester,benzo c 1,2,5 oxadiazole-5-boronic acid, pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzofurazan,benzo c 1,2,5 oxadiazole-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,1,3-benzoxadiazole,benzo c 1,2,5 oxadiazol-5-ylboronic acid pinacol ester,amtb001 PubChem CID: 46738004 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole SMILES: CC1(C)OB(OC1(C)C)C1=CC2=NON=C2C=C1
6-Bromo-2-pyridinecarbonitrile, 98%
CAS: 122918-25-6 Molecular Formula: C6H3BrN2 Molecular Weight (g/mol): 183.01 MDL Number: MFCD00234142 InChI Key: HNEBPTAKURBYRM-UHFFFAOYSA-N Synonym: 6-bromopicolinonitrile,6-bromo-2-pyridinecarbonitrile,2-bromo-6-cyanopyridine,6-bromo-2-cyanopyridine,2-pyridinecarbonitrile, 6-bromo,2-cyano-6-bromopyridine,2-bromopyridine-6-carbonitrile,pubchem14367,2-bromo-6-cyanopyridin,2-bromo-6-cyano pyridine PubChem CID: 15100859 IUPAC Name: 6-bromopyridine-2-carbonitrile SMILES: C1=CC(=NC(=C1)Br)C#N
6-Benzyloxy-1-BOC-indole-2-boronic acid, 97%, Thermo Scientific™
CAS: 850568-66-0 Molecular Formula: C20H22BNO5 Molecular Weight (g/mol): 367.21 MDL Number: MFCD06659831 InChI Key: OGONSJPAZMVGTG-UHFFFAOYSA-N Synonym: 6-benzyloxy-1-boc-indole-2-boronic acid,6-benzyloxy-1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid,1-tert-butoxycarbonyl-6-benzyloxy-1h-indol-2-yl-2-boronic acid,6-benzyloxy-1h-indole-2-boronic acid, n-boc protected,6-benzyloxy-1-tert-butoxycarbonyl indol-2-ylboronic acid,1h-indole-1-carboxylicacid, 2-borono-6-phenylmethoxy-, 1,1-dimethylethyl ester,acmc-209q2h,6-benzyloxy-1-boc-2-indoleboronic acid,6-benzyloxyindole-2-boronic acid, n-boc protected PubChem CID: 22309458 IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxyindol-2-yl]boronic acid SMILES: CC(C)(C)OC(=O)N1C(=CC2=CC=C(OCC3=CC=CC=C3)C=C12)B(O)O
2-Methyl-2H-indazole-6-boronic acid, 97%
CAS: 1001907-57-8 Molecular Formula: C8H9BN2O2 Molecular Weight (g/mol): 175.98 MDL Number: MFCD09870057 InChI Key: JADBVQWCMHPPQA-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-6-boronic acid,2-methyl-2h-indazol-6-yl boronic acid,2-methylindazole-6-boronic acid,6-borono-2-methyl-2h-indazole,6-boronic acid-2-methyl-2h-indazole,boronicacid, b-2-methyl-2h-indazol-6-yl,b-2-methyl-2h-indazol-6-yl-boronic acid,boronic acid, b-2-methyl-2h-indazol-6-yl,acmc-2097na,boron-mol bm794 PubChem CID: 44630579 IUPAC Name: (2-methylindazol-6-yl)boronic acid SMILES: CN1C=C2C=CC(=CC2=N1)B(O)O
Nickel phthalocyanine, 95%
CAS: 14055-02-8 Molecular Formula: C32H16N8Ni Molecular Weight (g/mol): 571.23 MDL Number: MFCD00041954 InChI Key: LVIYYTJTOKJJOC-UHFFFAOYSA-N Synonym: nickel phthalocyanine,nickel ii phthalocyanine,phthalocyanine, ni,nickel ii phthalocyanine, dye content 85 % PubChem CID: 2735100 IUPAC Name: nickel(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Ni++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
2-Amino-5-methylthiazole, 98%
CAS: 7305-71-7 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00078317 InChI Key: GUABFMPMKJGSBQ-UHFFFAOYSA-N Synonym: 2-amino-5-methylthiazole,5-methylthiazol-2-amine,2-thiazolamine, 5-methyl,2-amino-5-methyl-thiazole,thiazole, 2-amino-5-methyl,5-methyl-2-thiazolamine,5-methyl-2-aminothiazole,unii-7rab78af2p,2-amino-5-methyl thiazole,meloxicam related compound b PubChem CID: 351770 IUPAC Name: 5-methyl-1,3-thiazol-2-amine SMILES: CC1=CN=C(S1)N
Methyl 2-methylnicotinate, 97%
CAS: 65719-09-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 InChI Key: KLHWBYHFWALOIJ-UHFFFAOYSA-N PubChem CID: 7015327 IUPAC Name: methyl 2-methylpyridine-3-carboxylate SMILES: CC1=C(C=CC=N1)C(=O)OC
3-Fluoroazetidine hydrochloride, 95%
CAS: 617718-46-4 Molecular Formula: C3H6FN·HCl Molecular Weight (g/mol): 111.55 InChI Key: PXFUWRWCKSLCLS-UHFFFAOYSA-N Synonym: 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt PubChem CID: 10125054 IUPAC Name: 3-fluoroazetidine;hydrochloride SMILES: C1C(CN1)F.Cl
Ondansetron hydrochloride dihydrate, 98%
CAS: 103639-04-9 Molecular Formula: HCl·2H2O Molecular Weight (g/mol): 365.85 InChI Key: BGGIFKYQGVGSIW-UHFFFAOYSA-N Synonym: 1,2,3,9-tetrahydro-9-methyl-3-2-methyl-1h-imidazol-1-yl methyl-4h-carbazol-4-one hydrochloride; gr 38032f; ondansetron hydrochloride PubChem CID: 71317260 IUPAC Name: chlorine;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.[Cl]
Caffeine, citrated
CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
4,4'-Dibromo-2,2'-bipyridine, 98%
CAS: 18511-71-2 Molecular Formula: C10H6Br2N2 Molecular Weight (g/mol): 313.98 InChI Key: KIIHBDSNVJRWFY-UHFFFAOYSA-N Synonym: 4,4'-dibromo-2,2'-bipyridine,4-bromo-2-4-bromopyridin-2-yl pyridine,4,4'-dibromo-2,2'-bipyridyl,2,2'-bipyridine, 4,4'-dibromo,bpbb01,acmc-1bo83,4,4'-dibromo-2,2-bipyridine,4,4'-bromo-2,2'-bipyridine,4,4'-dibromo-2,2'-dipyridine,4,4'-dibromine-2,2'-bipyridine PubChem CID: 15569987 IUPAC Name: 4-bromo-2-(4-bromopyridin-2-yl)pyridine SMILES: C1=CN=C(C=C1Br)C2=NC=CC(=C2)Br
1-BOC-4-methylaminopiperidine, 95%, Thermo Scientific™
CAS: 147539-41-1 Molecular Formula: C11H22N2O2 Molecular Weight (g/mol): 214.31 InChI Key: CZYUGTLMFHDODF-UHFFFAOYSA-N Synonym: 1-boc-4-methylaminopiperidine,tert-butyl 4-methylamino piperidine-1-carboxylate,1-boc-4-methylamino piperidine,1-boc-4-methylaminopieridine,n-boc-4-methylaminopieridine,n-boc-4-methylaminopiperidine,4-methylamino-piperidine-1-carboxylic acid tert-butyl ester,4-methylamino piperidine, n1-boc protected,n-boc-4-n-methylamino piperidine,4-n-methylamino-1-boc-piperidine PubChem CID: 15380702 IUPAC Name: tert-butyl 4-(methylamino)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)NC
1-Methyl-1H-pyrazol-3-amine, 97%
CAS: 1904-31-0 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.12 InChI Key: MOGQNVSKBCVIPW-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-3-amine,3-amino-1-methylpyrazole,1-methyl-3-aminopyrazole,3-amino-1-methyl-1h-pyrazole,1-methyl-1h-pyrazol-3-ylamine,3-amino-1-methyl pyrazole,1h-pyrazol-3-amine, 1-methyl,1-methylpyrazole-3-ylamine,3-amino-1-methyl-pyrazole,3-amino-1 methyl pyrazole PubChem CID: 137254 IUPAC Name: 1-methylpyrazol-3-amine SMILES: CN1C=CC(=N1)N
2-Chloronicotinic acid, 99%
CAS: 2942-59-8 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.56 MDL Number: MFCD00006236 InChI Key: IBRSSZOHCGUTHI-UHFFFAOYSA-N Synonym: 2-chloronicotinic acid,2-chloro-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 2-chloro,2-chloro-nicotinic acid,2-chloro nicotinic acid,chloronicotinic acid,nicotinic acid, 2-chloro,2-chloronicotinicacid,2-chloroisonicotinicacid,2chloronicotinic acid PubChem CID: 76258 IUPAC Name: 2-chloropyridine-3-carboxylic acid SMILES: C1=CC(=C(N=C1)Cl)C(=O)O