Organoheterocyclic compounds
Methyl 1,2,4-triazole-3-carboxylate, 98%
CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1
1-(3-Iodobenzyl)piperidine, ≥97%, Thermo Scientific™
CAS: 859850-87-6 Molecular Formula: C12H16IN Molecular Weight (g/mol): 301.171 MDL Number: MFCD06797854 InChI Key: DCRZUICHKJGHQK-UHFFFAOYSA-N Synonym: 1-3-iodobenzyl piperidine,1-3-iodophenyl methyl piperidine,piperidine,1-3-iodophenyl methyl,1-3-iodo-benzyl-piperidine PubChem CID: 17750314 IUPAC Name: 1-[(3-iodophenyl)methyl]piperidine SMILES: C1CCN(CC1)CC2=CC(=CC=C2)I
3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride, 97%, Thermo Scientific™
CAS: 31794-45-3 Molecular Formula: C8H6ClNO4S Molecular Weight (g/mol): 247.649 MDL Number: MFCD05664887 InChI Key: CGTCULUUVYBAPX-UHFFFAOYSA-N Synonym: 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride,2h-1,4-benzoxazine-6-sulfonyl chloride, 3,4-dihydro-3-oxo,3-oxo-3,4-dihydro-2h-benzo b 1,4 oxazine-6-sulfonyl chloride,3,4-dihydro-3-oxo-2h-1,4-benzoxazine-6-sulphonyl chloride,3-oxo-3,4-dihydro-2h-benzo 1,4 oxazine-6-sulfonyl chloride,3-oxo-2,4-dihydro-1,4-benzoxazine-6-sulfonyl chloride,6-chlorosulfonyl-2h,4h-benzo e 1,4-oxazin-3-one,6-chlorosulphonyl-3-oxo-1,4-benzoxazine,3-oxo-3,4-dihydro-2h-1,4-benzooxazine-6-sulfonyl chloride,3-oxo-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl ch PubChem CID: 5200229 IUPAC Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)Cl
2-n-Octylthiophene, 98%
CAS: 880-36-4 Molecular Formula: C12H20S Molecular Weight (g/mol): 196.352 MDL Number: MFCD00041015 InChI Key: GIFWAJGKWIDXMY-UHFFFAOYSA-N Synonym: 2-n-octylthiophene,thiophene, 2-octyl,octylthiophene,acmc-209qqw PubChem CID: 70153 IUPAC Name: 2-octylthiophene SMILES: CCCCCCCCC1=CC=CS1
1-Chloromethyl-1H-1,2,4-triazole hydrochloride, 96%
CAS: 84387-61-1 Molecular Formula: C3H4ClN3 Molecular Weight (g/mol): 117.54 MDL Number: MFCD00964947 InChI Key: PXNMFQMREJNQQT-UHFFFAOYSA-N PubChem CID: 3743882 SMILES: ClCN1C=NC=N1
1-Boc-3-fluoro-4-pyrrolidinone
CAS: 845894-03-3 Molecular Formula: C9H14FNO3 Molecular Weight (g/mol): 203.21 MDL Number: MFCD08274459 InChI Key: HPHVNLXMQXEDFX-UHFFFAOYNA-N Synonym: 1-boc-3-fluoro-4-pyrrolidinone,boc-3-fluoro-4-oxopyrrolidine,3-fluoro-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester,1-boc-4-fluoro-3-pyrrolidinone,n-t-boc-3-fluoro-4-oxopyrrolidine,tert-butyl3-fluoro-4-oxopyrrolidine-1-carboxylate PubChem CID: 45158916 IUPAC Name: tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CC(F)C(=O)C1
2-Amino-4-(2-naphthyl)thiazole, 98%
CAS: 21331-43-1 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.297 MDL Number: MFCD00046452 InChI Key: GWDNDNTTXIIXRS-UHFFFAOYSA-N Synonym: 4-naphthalen-2-yl-thiazol-2-ylamine,4-naphthalen-2-yl-1,3-thiazol-2-amine,4-2-naphthyl-1,3-thiazol-2-amine,2-amino-4-2-naphthyl thiazole,4-naphthalen-2-yl thiazol-2-amine,4-naphthalen-2-yl-thiazol-2-yl-amine,4-2-naphthalenyl-2-thiazolamine,2-thiazolamine,4-2-naphthalenyl,4-2-naphthyl-1,3-thiazole-2-ylamine,acmc-20ao57 PubChem CID: 673702 IUPAC Name: 4-naphthalen-2-yl-1,3-thiazol-2-amine SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)N
1-Boc-3-hydroxypiperidine, 97%
CAS: 85275-45-2 Molecular Formula: C10H19NO3 Molecular Weight (g/mol): 201.266 MDL Number: MFCD02093938 InChI Key: UIJXHKXIOCDSEB-UHFFFAOYSA-N Synonym: 1-boc-3-hydroxypiperidine,1-n-boc-3-hydroxy-piperidine,1-boc-3-hydroxy-piperidine,n-boc-3-piperidinol,n-boc-3-hydroxypiperidine,1-tert-butoxycarbonyl-3-hydroxy piperidine,boc-3-hydroxypiperidine,n-tert-butoxycarbonyl-3-piperidinol,n-boc-3-hydroxy piperidine,3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 545699 IUPAC Name: tert-butyl 3-hydroxypiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)O
1-Benzyl-4-cyano-4-hydroxypiperidine, 98%, Thermo Scientific™
CAS: 6094-60-6 Molecular Formula: C13H16N2O Molecular Weight (g/mol): 216.28 MDL Number: MFCD00023752 InChI Key: XQRLXUYZKZXSBN-UHFFFAOYSA-N Synonym: 1-benzyl-4-cyano-4-hydroxypiperidine,maybridge1_006722,acmc-20aoxx,1-benzyl-4-hydroxyisonipecotonitrile,4-hydroxy-1-benzylpiperidine-4-carbonitrile,1-benyl-4-hydroxy-piperidine-4-carbonitrile,1-benzyl-4-hydroxy-4-piperidinecarbonitrile,1-benzyl-4-hydroxy-piperidine-4-carbonitrile,4-hydroxy-1-phenylmethyl-4-piperidinecarbonitrile PubChem CID: 80189 IUPAC Name: 1-benzyl-4-hydroxypiperidine-4-carbonitrile SMILES: OC1(CCN(CC2=CC=CC=C2)CC1)C#N
3-(1H-Imidazol-1-ylmethyl)aniline, 97%, Thermo Scientific™
CAS: 120107-85-9 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 InChI Key: HOZXQBSHRUITCX-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-ylmethyl aniline,3-1h-imidazol-1-yl methyl aniline,3-imidazol-1-ylmethyl aniline,benzenamine, 3-1h-imidazol-1-ylmethyl,3-1-imidazolylmethyl aniline,3-imidazol-1-ylmethyl-phenylamine,benzenamine,3-1h-imidazol-1-ylmethyl,3-imidazolylmethyl phenylamine,acmc-20e0av PubChem CID: 6481821 IUPAC Name: 3-(imidazol-1-ylmethyl)aniline SMILES: C1=CC(=CC(=C1)N)CN2C=CN=C2
5-Acetyl-2,4-dimethylthiazole, 99%
CAS: 38205-60-6 Molecular Formula: C7H9NOS Molecular Weight (g/mol): 155.215 MDL Number: MFCD00005331 InChI Key: BLQOKWQUTLNKON-UHFFFAOYSA-N Synonym: 5-acetyl-2,4-dimethylthiazole,2,4-dimethyl-5-acetylthiazole,1-2,4-dimethylthiazol-5-yl ethanone,1-2,4-dimethyl-1,3-thiazol-5-yl ethanone,unii-pd36fu2wgy,ethanone, 1-2,4-dimethyl-5-thiazolyl,1-2,4-dimethyl-5-thiazolyl ethanone,pd36fu2wgy,2,4-dimethyl-5-thiazoyl methyl ketone,ketone, 2,4-dimethyl-5-thiazolyl methyl PubChem CID: 520888 IUPAC Name: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C)C(=O)C
1H-Indazole-5-carboxylic acid, 97%
CAS: 61700-61-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD06804570 InChI Key: MAVGBUDLHOOROM-UHFFFAOYSA-N Synonym: indazole-5-carboxylic acid,5-indazolecarboxylic acid,1h-indazole-5-carboxylicacid,indazole-5-carboxylic acid hcl,acmc-209mvj,5-carboxy-1h-indazole,5-carboxyindazole,1h-5indazolecarboxylic acid,c8h6n2o2.clh,1h-indazole-5carboxylic acid PubChem CID: 4248454 IUPAC Name: 1H-indazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2NN=CC2=C1
3-Aminooxetane, 95%
CAS: 21635-88-1 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.09 InChI Key: OJEOJUQOECNDND-UHFFFAOYSA-N Synonym: 3-oxetanamine,3-aminooxetane,oxetan-3-ylamine,3-oxetanamin,3-amino-oxetane,oxetane-3-amine,oxetan-3-yl amine,pubchem20414,acmc-1cgam PubChem CID: 9833923 IUPAC Name: oxetan-3-amine SMILES: C1C(CO1)N
2-Amino-6-chloropyridine, 98%
CAS: 45644-21-1 Molecular Formula: C5H5ClN2 Molecular Weight (g/mol): 128.559 MDL Number: MFCD00234068 InChI Key: OBYJTLDIQBWBHM-UHFFFAOYSA-N Synonym: 2-amino-6-chloropyridine,2-chloro-6-aminopyridine,2-pyridinamine, 6-chloro,6-chloro-2-pyridinamine,6-chloro-pyridin-2-ylamine,pyridine, 2-amino-6-chloro,6-chloropyridin-2-ylamine,6-chloro-2-pyridylamine,6-amino-2-chloropyridine,2-amino-6-chloropyridine 6-chloropyridin-2-ylamine PubChem CID: 206246 IUPAC Name: 6-chloropyridin-2-amine SMILES: C1=CC(=NC(=C1)Cl)N
gamma-Valerolactone, 98%
CAS: 108-29-2 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00005400 InChI Key: GAEKPEKOJKCEMS-UHFFFAOYSA-N Synonym: gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 PubChem CID: 7921 ChEBI: CHEBI:48569 IUPAC Name: 5-methyloxolan-2-one SMILES: CC1CCC(=O)O1