Organoheterocyclic compounds
5-Methoxytryptamine, 97%
CAS: 608-07-1 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.24 InChI Key: JTEJPPKMYBDEMY-UHFFFAOYSA-N Synonym: 5-methoxytryptamine,2-5-methoxy-1h-indol-3-yl ethanamine,mexamine,methoxytryptamine,3-2-aminoethyl-5-methoxyindole,5-mot,mexamine base,5mot,o-methylserotonin,1h-indole-3-ethanamine, 5-methoxy PubChem CID: 1833 ChEBI: CHEBI:2089 IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethanamine SMILES: COC1=CC2=C(C=C1)NC=C2CCN
1,4-Benzodioxan-6-carboxaldehyde, 98%, Thermo Scientific™
CAS: 29668-44-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00010092 InChI Key: CWKXDPPQCVWXAG-UHFFFAOYSA-N Synonym: 1,4-benzodioxan-6-carboxaldehyde,1,4-benzodioxan-6-carbaldehyde,2,3-dihydrobenzo b 1,4 dioxine-6-carbaldehyde,1,4-benzodioxane-6-carboxaldehyde,3,4-ethylenedioxybenzaldehyde,1,4-benzodioxin-6-carboxaldehyde, 2,3-dihydro,7-formyl-1,4-benzodioxane,1,4-benzodioxane-6-aldehyde,2,3-dihydro-1,4-benzodioxin-6-carbaldehyde,1,4-benzodioxane-6-carbaldehyde PubChem CID: 248127 IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde SMILES: C1COC2=C(O1)C=CC(=C2)C=O
2-Chloronicotinic acid, 99%
CAS: 2942-59-8 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 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
5-Amino-1,3-diphenyl-1H-pyrazole, 97%
CAS: 5356-71-8 Molecular Formula: C15H13N3 Molecular Weight (g/mol): 235.29 MDL Number: MFCD00084878 InChI Key: SXOFMEWDEKEVJU-UHFFFAOYSA-N Synonym: 1,3-diphenyl-1h-pyrazol-5-amine,5-amino-1,3-diphenylpyrazole,1h-pyrazol-5-amine, 1,3-diphenyl,pyrazole, 5-amino-1,3-diphenyl,5-amino-1,3-diphenyl-1h-pyrazole,1,3-diphenyl-1h-pyrazol-5-ylamine,1,3-diphenylpyrazole-5-ylamine,maybridge1_004139,acmc-1apw6,cbmicro_003752 PubChem CID: 199969 IUPAC Name: 2,5-diphenylpyrazol-3-amine SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
2-Fluoro-6-methoxybenzeneboronic acid pinacol ester, 96%
CAS: 1599432-41-3 Molecular Formula: C13H18BFO3 Molecular Weight (g/mol): 252.092 InChI Key: CSXSULPDIWBLHT-UHFFFAOYSA-N Synonym: 2-2-fluoro-6-methoxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-fluoro-6-methoxybenzeneboronic acid pinacol ester,2-fluoro-6-methoxyphenylboronic acid pinacol ester,2-fluoro-6-methoxybenzeneboronicacidpinacolester,2-fluoro-6-methoxyphenylboronicacidpinacolester,2-fluoro-6-methoxyphenylboronic acid 2,3-dimethyl-2,3-butanediyl PubChem CID: 72221147 IUPAC Name: 2-(2-fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)OC
Methyl orotate, 95%
CAS: 6153-44-2 Molecular Formula: C6H6N2O4 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00010564 InChI Key: UUTDWTOZAWFKFW-UHFFFAOYSA-N Synonym: methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate PubChem CID: 80257 IUPAC Name: methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: COC(=O)C1=CC(=O)NC(=O)N1
3-(2-Furyl)-1-methyl-1H-pyrazole-5-carboxylic acid, ≥97%, Thermo Scientific™
CAS: 859851-00-6 Molecular Formula: C9H8N2O3 Molecular Weight (g/mol): 192.17 MDL Number: MFCD08271950 InChI Key: MOPCEJWYTICWJM-UHFFFAOYSA-N Synonym: 3-2-furyl-1-methyl-1h-pyrazole-5-carboxylic acid,5-furan-2-yl-2-methylpyrazole-3-carboxylic acid,3-furan-2-yl-1-methyl-1h-pyrazole-5-carboxylic acid,1h-pyrazole-5-carboxylicacid, 3-2-furanyl-1-methyl,3-fur-2-yl-1-methyl-1h-pyrazole-5-carboxylic acid,3-2-furyl-1-methylpyrazole-5-carboxylic acid PubChem CID: 7537643 SMILES: CN1N=C(C=C1C(O)=O)C1=CC=CO1
2,3-Dihydro-1,4-benzodioxin-6-ylmethanol, Thermo Scientific™
CAS: 39270-39-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD01317581 InChI Key: FFLHNBGNAWYMRH-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzo b 1,4 dioxin-6-yl methanol,2,3-dihydro-1,4-benzodioxin-6-methanol,1,4-benzodioxin-6-methanol, 2,3-dihydro,1,4-benzodioxin-6-methanol,2,3-dihydro,2,3-dihydro-1,4-benzodioxin-6-yl methanol,1,4-benzodioxan-6-methanol,2,3-dihydro-1,4-benzodioxin-6-yl-methanol,2,3-dihydro-benzo 1,4 dioxin-6-yl methanol,2,3-dihydrobenzo 1,4 dioxin-6-yl-methanol,2,3-dihydro-benzo 1,4 dioxin-6-yl-methanol PubChem CID: 2776174 SMILES: OCC1=CC=C2OCCOC2=C1
4-(Tetrahydropyran-4-yloxy)aniline, 97%, Thermo Scientific™
CAS: 917483-71-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD09064968 InChI Key: CCIFXNITZHWCRR-UHFFFAOYSA-N Synonym: 4-tetrahydropyran-4-yloxy aniline,4-oxan-4-yloxy aniline,4-tetrahydro-2h-pyran-4-yl oxy aniline,4-oxan-4-yl oxy aniline,4-tetrahydropyran-4-yloxy phenylamine,4-tetrahydro-2h-pyran-4-yloxy aniline,4-tetrahydro-pyran-4-yloxy-phenylamine,4-2h-3,4,5,6-tetrahydropyran-4-yloxy phenylamine PubChem CID: 24229526 IUPAC Name: 4-(oxan-4-yloxy)aniline SMILES: C1COCCC1OC2=CC=C(C=C2)N
4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 95124-68-8 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.185 MDL Number: MFCD06797475 InChI Key: DTKAUYQBZSOHRJ-UHFFFAOYSA-N Synonym: 4-5-methyl-1,2,4-oxadiazol-3-yl benzoic acid,3-4-carboxyphenyl-5-methyl-1,2,4-oxadiazole,4-5-methyl-1,2,4 oxadiazol-3-yl-benzoic acid,benzoic acid, 4-5-methyl-1,2,4-oxadiazol-3-yl,acmc-209xiw,4-5-methyl-1,2,4-oxadiazol-3-yl benzoicacid PubChem CID: 7127808 IUPAC Name: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
5-Chloro-3-hydroxypyridine, 99%
CAS: 74115-12-1 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.543 MDL Number: MFCD00006379 InChI Key: TUIDQYRZDZRHPQ-UHFFFAOYSA-N Synonym: 5-chloro-3-hydroxypyridine,5-chloro-3-pyridinol,3-chloro-5-hydroxypyridine,3-pyridinol, 5-chloro,5chloro-3-pyridinol,pubchem6628,3-chloro-5-pyridinol,acmc-209otf,5-chloranylpyridin-3-ol,3chloro-5-hydroxypyridine PubChem CID: 582305 IUPAC Name: 5-chloropyridin-3-ol SMILES: C1=C(C=NC=C1Cl)O
delta-Valerolactam, 98%
CAS: 675-20-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00006037 InChI Key: XUWHAWMETYGRKB-UHFFFAOYSA-N Synonym: 2-piperidone,2-piperidinone,delta-valerolactam,valerolactim,5-pentanolactam,piperidinone,piperidon,piperidone,alpha-piperidone,piperidone-2 PubChem CID: 12665 ChEBI: CHEBI:77761 IUPAC Name: piperidin-2-one SMILES: O=C1CCCCN1
2-Mercaptopyrimidine, 98%
CAS: 1450-85-7 Molecular Formula: C4H4N2S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1
2-Amino-5-mercapto-1,3,4-thiadiazole, 98%
CAS: 2349-67-9 Molecular Formula: C2H3N3S2 Molecular Weight (g/mol): 133.187 MDL Number: MFCD00003108 InChI Key: GDGIVSREGUOIJZ-UHFFFAOYSA-N Synonym: 5-amino-1,3,4-thiadiazole-2-thiol,2-amino-5-mercapto-1,3,4-thiadiazole,usaf pd-25,1,3,4-thiadiazole-2 3h-thione, 5-amino,unii-b1heg7v21s,5-amino-1,3,4-thiadiazole-2 3h-thione,2-amino-1,3,4-thiadiazole-5-thiol,2-thiol-5-amino-1,3,4-thiadiazole,ccris 6893,2-mercapto-5-amino-1,3,4-thiadiazole PubChem CID: 2723847 IUPAC Name: 5-amino-3H-1,3,4-thiadiazole-2-thione SMILES: C1(=NNC(=S)S1)N
1-Phenyl-1H-pyrazole, 98%
CAS: 1126-00-7 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00003112 InChI Key: WITMXBRCQWOZPX-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole,n-phenylpyrazole,1h-pyrazole, 1-phenyl,pyrazole, 1-phenyl,1-phenylpyrazol,n-phenyl pyrazole,1-phenyl pyrazole,1-phenyl-pyrazole,1-phenyl-1h-pyrazol,l-phenyl-1h-pyrazole PubChem CID: 70769 ChEBI: CHEBI:38879 IUPAC Name: 1-phenylpyrazole SMILES: C1=CN(N=C1)C1=CC=CC=C1