Organoheterocyclic compounds
4-(chloromethyl)-2-(2-thienyl)-1,3-thiazole, 97%, Thermo Scientific™
CAS: 54679-16-2 Molecular Formula: C8H6ClNS2 Molecular Weight (g/mol): 215.71 MDL Number: MFCD01571296 InChI Key: CGJJBHKYGNSTDK-UHFFFAOYSA-N PubChem CID: 736496 IUPAC Name: 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole SMILES: ClCC1=CSC(=N1)C1=CC=CS1
5-Methylthiazole, 97%
CAS: 3581-89-3 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00005335 InChI Key: RLYUNPNLXMSXAX-UHFFFAOYSA-N Synonym: 5-methylthiazole,thiazole, 5-methyl,5-methyl-thiazole,5-methyl thiazole,zlchem 1239,acmc-1cjhk,#,ksc222m5d PubChem CID: 137980 IUPAC Name: 5-methyl-1,3-thiazole SMILES: CC1=CN=CS1
2,3-Dicyanopyrazine, Thermo Scientific Chemicals
CAS: 13481-25-9 Molecular Formula: C6H2N4 Molecular Weight (g/mol): 130.11 InChI Key: OTVZGAXESBAAQQ-UHFFFAOYSA-N IUPAC Name: pyrazine-2,3-dicarbonitrile SMILES: N#CC1=NC=CN=C1C#N
1,3-Benzodioxol-5-ylacetyl chloride, ≥97%, Thermo Scientific™
CAS: 6845-81-4 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.60 MDL Number: MFCD03424722 InChI Key: HGSZGCXMAJSUSC-UHFFFAOYSA-N Synonym: benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride PubChem CID: 2756584 SMILES: ClC(=O)CC1=CC2=C(OCO2)C=C1
5-Amino-1-methylbenzimidazole, 97%
CAS: 10394-38-4 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD03164349 InChI Key: IWBGBYZGEQUDBT-UHFFFAOYSA-N Synonym: 1-methylbenzoimidazol-5-amine,1-methyl-1h-benzo d imidazol-5-amine,1-methyl-1h-benzimidazol-5-amine,1-methyl-1h-benzoimidazol-5-ylamine,1-methyl-1h-1,3-benzodiazol-5-amine,1-methyl-1,3-benzodiazol-5-amine,1-methyl-1h-benzimidazol-5-ylamine,1-methylbenzimidazole-5-ylamine,1-methyl-5-aminobenzimidazole,5-amino-1-methylbenzimidazole PubChem CID: 315499 IUPAC Name: 1-methyl-1H-1,3-benzodiazol-5-amine SMILES: CN1C=NC2=CC(N)=CC=C12
1-Methyl-3-n-octylimidazolium chloride, 97%
CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1
![[1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol, 97%, Thermo Scientific™](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-318469-22-6.jpg-250.jpg)
[1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol, 97%, Thermo Scientific™
CAS: 318469-22-6 Molecular Formula: C12H11F3N2O2 Molecular Weight (g/mol): 272.23 MDL Number: MFCD00172652 InChI Key: TVYDMZWMEOZWHY-UHFFFAOYSA-N Synonym: 1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazol-4-yl methanol,1-methyl-5-phenoxy-3-trifluoromethyl pyrazol-4-yl methanol,methylphenoxytrifluoromethylpyrazolylmethanol,1-methyl-5-phenoxy-3-trifluoromethyl-4-pyrazolyl methanol,1h-pyrazole-4-methanol,1-methyl-5-phenoxy-3-trifluoromethyl,4-hydroxymethyl-1-methyl-5-phenoxy-3-trifluoromethyl-1h-pyrazole PubChem CID: 2775496 IUPAC Name: [1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol SMILES: CN1N=C(C(CO)=C1OC1=CC=CC=C1)C(F)(F)F
3,5-Dimethylpyridine-4-boronic acid pinacol ester, 95%
CAS: 1032358-02-3 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.12 MDL Number: MFCD10566506 InChI Key: PLCYEDJFSPVVLL-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3,5-dimethylpyridine-4-boronic acid pinacol ester,2-3,5-dimethyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine PubChem CID: 45588136 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1=CN=CC(C)=C1B1OC(C)(C)C(C)(C)O1
Cyclopiazonic acid, 98%
CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 MDL Number: MFCD00167445 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 97%
CAS: 2328-12-3 Molecular Formula: C11H16ClNO2 Molecular Weight (g/mol): 229.70 MDL Number: MFCD00012744 InChI Key: SHOWAGCIRTUYNA-UHFFFAOYSA-N
7-Chlorokynurenic acid, 98+%
CAS: 18000-24-3 Molecular Formula: C10H6ClNO3 Molecular Weight (g/mol): 223.61 MDL Number: MFCD00069227 InChI Key: UAWVRVFHMOSAPU-UHFFFAOYSA-N Synonym: 7-chlorokynurenic acid,7-chloro-4-hydroxyquinoline-2-carboxylic acid,7-cl-kyna,7-chloro-kynurenic acid,unii-s7936qon2k,7-chloro-4-hydroxy-2-carboxyquinoline,7-cka,7-chloro-4-hydroxy-2-quinolinecarboxylic acid,2-quinolinecarboxylic acid, 7-chloro-1,4-dihydro-4-oxo,cka PubChem CID: 1884 ChEBI: CHEBI:63965 IUPAC Name: 7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid SMILES: OC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2N1
Bisindolylmaleimide 1, Thermo Scientific Chemicals
CAS: 133052-90-1 Molecular Formula: C25H24N4O2 Molecular Weight (g/mol): 412.493 MDL Number: MFCD00236428 InChI Key: QMGUOJYZJKLOLH-UHFFFAOYSA-N Synonym: bisindolylmaleimide i,unii-l79h6n0v6c,rbt205 inhibitor,gö 6850,bisindolylmaleimide i gf 109203x,bim-1,chembl7463,2-1-3-dimethylaminopropyl indol-3-yl-3-indol-3-yl maleimide,3-1-3-dimethylamino propyl-1h-indol-3-yl-4-1h-indol-3-yl-1h-pyrrole-2,5-dione PubChem CID: 2396 ChEBI: CHEBI:41072 IUPAC Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione SMILES: CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
Castanospermine, 99%
CAS: 79831-76-8 Molecular Formula: C8H15NO4 Molecular Weight (g/mol): 189.211 MDL Number: MFCD00017555 InChI Key: JDVVGAQPNNXQDW-TVNFTVLESA-N Synonym: castanospermine,castinospermine,1,6,7,8-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-1,6,7,8-tetrahydroxyindolizidine,6-epicastanospermine,unii-q0i3184xm7,6,7-diepicastanospermine,castanospermine, castanospermum australe,1s,6s,7r,8ar-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-octahydroindolizine-1,6,7,8-tetrol PubChem CID: 54445 ChEBI: CHEBI:27860 IUPAC Name: (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol SMILES: C1CN2CC(C(C(C2C1O)O)O)O
Nicergoline
CAS: 27848-84-6 Molecular Formula: C24H26BrN3O3 Molecular Weight (g/mol): 484.394 MDL Number: MFCD00869626 InChI Key: YSEXMKHXIOCEJA-FVFQAYNVSA-N Synonym: nicergoline,nicotergoline,nimergoline,nimergoline base,nicergolinum,nicergolin,nicergolina,sermion,nicergolin german,nicergolina dcit PubChem CID: 34040 IUPAC Name: [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl 5-bromopyridine-3-carboxylate SMILES: CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
5-Aza-2'-deoxycytidine, 98%
CAS: 2353-33-5 Molecular Formula: C9H13N3O4 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00006547 InChI Key: CKTSBUTUHBMZGZ-SHYZEUOFSA-N Synonym: decitabine,5-aza-2'-deoxycytidine,dacogen,5-azadeoxycytidine,2'-deoxy-5-azacytidine,azadc,dezocitidine,5-aza-cdr,5-aza-dc,dacogen tn PubChem CID: 451668 ChEBI: CHEBI:50131 IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one SMILES: NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1