Organoheterocyclic compounds

Iron(III) meso-tetraphenylporphine-mu-oxo dimer

CAS: 12582-61-5 Molecular Formula: C88H58Fe2N8O Molecular Weight (g/mol): 1355.177 MDL Number: MFCD00058898 InChI Key: JTFKJCUSDKAMIA-UHFFFAOYSA-N Synonym: iron iii meso-tetraphenylporphine-mu-oxo dimer,iron,m-oxobis 5,10,15,20-tetraphenyl-21h,23h-porphinato 2--kn21,kn22,kn23,kn24 di PubChem CID: 11981848 IUPAC Name: iron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrate SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Fe+2].[Fe+2]

Gatifloxacin, 98%, Thermo Scientific Chemicals

CAS: 112811-59-3 Molecular Formula: C19H22FN3O4 Molecular Weight (g/mol): 375.40 MDL Number: MFCD00895399 InChI Key: XUBOMFCQGDBHNK-UHFFFAOYNA-N Synonym: gatifloxacin,tequin,zymar,gatiflo,gatifloxacine,gatiquin,gatispan,gatilox,zymaxid,gaity PubChem CID: 5379 ChEBI: CHEBI:5280 IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1

5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

3-Amino-5-iodo-1H-indazole, 95%, Thermo Scientific™

CAS: 88805-76-9 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12

gamma-Hexalactone, 98%

CAS: 695-06-7 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005401 InChI Key: JBFHTYHTHYHCDJ-UHFFFAOYNA-N Synonym: gamma-caprolactone,gamma-hexalactone,4-hexanolide,gamma-hexanolactone,6-caprolactone,tonkalide,toukalide,2 3h-furanone, 5-ethyldihydro,4-ethyl-4-butanolide,5-ethyldihydrofuran-2 3h-one PubChem CID: 12756 ChEBI: CHEBI:85235 IUPAC Name: 5-ethyloxolan-2-one SMILES: CCC1CCC(=O)O1

Methyl 3-amino-5-methylthiophene-2-carboxylate, 97%

CAS: 76575-71-8 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00130095 InChI Key: FVKMOPIFLCMZMI-UHFFFAOYSA-N Synonym: 3-amino-5-methyl-thiophene-2-carboxylic acid methyl ester,methyl 3-amino-5-methyl thiophene-2-carboxylate,3-amino-5-methylthiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-amino-5-methyl-, methyl ester,methyl3-amino-5-methylthiophene-2-carboxylate,3-amino-5-methylthiophene-2-carboxylate,3-amino-5-methyl-thiophene-2-carboxylic acid,methyl 3-amino-5-methylthiophen-2-carboxylate,methyl-3-amino-5-methylthiophene-2-carboxylate,3-amino-5-methyl-2-thiophene-carboxylic acid, methyl ester PubChem CID: 818952 IUPAC Name: methyl 3-amino-5-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(N)C=C(C)S1

Potassium tris(1-pyrazolyl)borohydride, 93%

CAS: 18583-60-3 Molecular Formula: C9H10BKN6 Molecular Weight (g/mol): 252.13 MDL Number: MFCD00040346 InChI Key: IBNGZWIUPDMZMG-UHFFFAOYSA-N Synonym: potassium hydrotris 1-pyrazolyl borate,potassium hydridotri 1h-pyrazol-1-yl borate 1-,potassium hydro-tris 1-pyrazolyl borate,potassium tri 1h-pyrazol-1-yl hydroborate,potassium tri 1-pyrazolyl borohydride,potassium hydrotris 1-pyrazolato borate, hydrate IUPAC Name: potassium tris(1H-pyrazol-1-yl)boranuide SMILES: [K+].C1=CN(N=C1)[BH-](N1C=CC=N1)N1C=CC=N1

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

2-Oxa-5-azaspiro[3.4]octane oxalate, 96%

CAS: 1389264-18-9 Molecular Formula: C8H13NO5 Molecular Weight (g/mol): 203.194 MDL Number: MFCD18325162 InChI Key: JFOZNINEJYPQQK-UHFFFAOYSA-N Synonym: 2-oxa-5-azaspiro 3.4 octane oxalate,2-oxa-5-aza-spiro 3.4 octane oxalate,2-oxa-5-azaspiro 3.4 octane oxalate salt,2-oxa-5-azaspiro 3.4 octane, hemioxalate salt,2-oxa-5-azaspiro 3.4 octane; oxalic acid PubChem CID: 72207353 IUPAC Name: 2-oxa-5-azaspiro[3.4]octane;oxalic acid SMILES: C1CC2(COC2)NC1.C(=O)(C(=O)O)O

Ebselen

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

2-Boc-2-azabicyclo[2.2.1]hept-5-ene, 98%

CAS: 188345-71-3 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.262 MDL Number: MFCD22416354 InChI Key: ZATXHTCUZAWODK-UHFFFAOYSA-N PubChem CID: 15837921 IUPAC Name: tert-butyl 5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate SMILES: CC(C)(C)OC(=O)N1CC2CC1C=C2

4-(Piperidin-1-ylmethyl)benzonitrile, ≥97%, Thermo Scientific™

CAS: 727733-92-8 Molecular Formula: C13H16N2 Molecular Weight (g/mol): 200.285 MDL Number: MFCD06796182 InChI Key: JOGVBKNLRQCYKS-UHFFFAOYSA-N Synonym: 4-piperidin-1-ylmethyl benzonitrile,1-4-cyanobenzyl piperidine,4-piperidinomethyl benzonitrile,4-piperidylmethyl benzenecarbonitrile,4-piperidin-1-ylmethyl-benzonitrile,benzonitrile,4-1-piperidinylmethyl PubChem CID: 7537603 IUPAC Name: 4-(piperidin-1-ylmethyl)benzonitrile SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C#N

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97%, Thermo Scientific™

CAS: 127958-10-5 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 MDL Number: MFCD02682072 InChI Key: XKJAQESOTNACHT-UHFFFAOYSA-N PubChem CID: 2776510 IUPAC Name: 2-methyl-4-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O

3-Hydroxy-4-methoxyphenylboronic acid pinacol ester, 97%, Thermo Scientific™

CAS: 269410-23-3 Molecular Formula: C13H19BO4 Molecular Weight (g/mol): 250.10 MDL Number: MFCD09027077 InChI Key: WINSAMQIAMEZIK-UHFFFAOYSA-N Synonym: 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,3-hydroxy-4-methoxyphenylboronic acid, pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,3-hydroxy-4-methoxyphenylboronic acid pinacol ester,phenol, 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,amtb953,2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-phenol PubChem CID: 17750251 IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: COC1=CC=C(C=C1O)B1OC(C)(C)C(C)(C)O1