Organoheterocyclic compounds
1-Ethyl-3-methylimidazolium thiocyanate, 98%, Thermo Scientific Chemicals
CAS: 331717-63-6 Molecular Formula: C7H11N3S Molecular Weight (g/mol): 169.246 MDL Number: MFCD06798182 InChI Key: VASPYXGQVWPGAB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium thiocyanate,basionics™ vs 01,dsstox_cid_27860,dsstox_rid_82613,dsstox_gsid_47884,1-methyl-3-ethylimidazolium thiocyanate,1-ethyl-3-methyl imidazolium thio-cyanate,1-ethyl-3-methyl-1h-imidazol-3-ium thiocyanate,1-ethyl-3-methylimidazolium thiocyanate h-nmr, hplc,1-ethyl-3-methylimidazolium thiocyanate, for electrochemistry t PubChem CID: 16211115 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]
4-(Trifluoromethyl)nicotinonitrile, ≥95%, Thermo Scientific™
CAS: 13600-43-6 Molecular Formula: C7H3F3N2 Molecular Weight (g/mol): 172.11 MDL Number: MFCD00153107 InChI Key: DHIRCRHQLUNYDS-UHFFFAOYSA-N Synonym: 4-trifluoromethyl nicotinonitrile,3-cyano-4-trifluoromethyl pyridine,4-trifluoromethyl pyridine-3-carbonitrile,3-cyano-4-trifluoromethylpyridine,4-trifluoromethyl-3-pyridinenitrile,3-pyridinecarbonitrile, 4-trifluoromethyl,4-trifluoromethyl-nicotinonitrile,pubchem9232,buttpark 4357-45,ksc495c9t PubChem CID: 2736743 IUPAC Name: 4-(trifluoromethyl)pyridine-3-carbonitrile SMILES: FC(F)(F)C1=C(C=NC=C1)C#N
4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine, 97%, Thermo Scientific™
CAS: 175135-32-7 Molecular Formula: C9H6F2N2S Molecular Weight (g/mol): 212.218 MDL Number: MFCD00052876 InChI Key: NDCSJUJQMRFHEX-UHFFFAOYSA-N Synonym: 4-3,4-difluorophenyl-1,3-thiazol-2-amine,2-amino-4-3,4-difluorophenyl thiazole,4-3,4-difluorophenyl thiazol-2-amine,4-3,4-difluoro-phenyl-thiazol-2-ylamine,2-amino-4-3,4-difluorophenyl-1,3-thiazole,2-thiazolamine,4-3,4-difluorophenyl,4-3,4-difluoro-phenyl-1,3-thiazol-2-amine,4-3,4-difluorophenyl-1,3-thiazole-2-ylamine,pubchem14456,timtec-bb sbb005523 PubChem CID: 706326 IUPAC Name: 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine SMILES: C1=CC(=C(C=C1C2=CSC(=N2)N)F)F
1-Boc-indoline-5-boronic acid pinacol ester, 97%
CAS: 837392-67-3 Molecular Formula: C19H28BNO4 Molecular Weight (g/mol): 345.246 MDL Number: MFCD12408237 InChI Key: OOORQXGLIKPNDK-UHFFFAOYSA-N Synonym: 1-boc-indoline-5-boronic acid pinacol ester,tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indoline-1-carboxylate,1,1-dimethylethyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,3-dihydro-1h-indole-1-carboxylate,1h-indole-1-carboxylic acid, 2,3-dihydro-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-, 1,1-dimethylethyl ester,tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,3-dihydro-1h-indole-1-carboxylate,tert-butyl 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2,3-dihydroindole-1-carboxylate,1-n-boc-5-bpin-indoline,amtb776,1-tert-butoxycarbonyl-5-indolineboronic acid pinacol ester,1-tert-butoxycarbonyl indolin-5-yl boronic acid pinacol ester PubChem CID: 18451469 IUPAC Name: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole-1-carboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CC3)C(=O)OC(C)(C)C
5-Bromo-2-furoic acid, 99%
CAS: 585-70-6 Molecular Formula: C5H3BrO3 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00003239 InChI Key: YVTQHZDUDUCGRD-UHFFFAOYSA-N Synonym: 5-bromo-2-furoic acid,5-bromofuroic acid,5-bromo-furan-2-carboxylic acid,5-bromo-2-furancarboxylic acid,2-furancarboxylic acid, 5-bromo,5-bromo-2-furanecarboxylic acid,5-bromo furan-2-carboxylic acid,2-furoic acid, 5-bromo,t5oj bvq ee,5-bromofuroic?acid PubChem CID: 68511 IUPAC Name: 5-bromofuran-2-carboxylic acid SMILES: C1=C(OC(=C1)Br)C(=O)O
Thermo Scientific Chemicals 2'-O-Methyluridine, 99%
CAS: 2140-76-3 Molecular Formula: C10H14N2O6 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00056054 InChI Key: SXUXMRMBWZCMEN-ZOQUXTDFSA-N Synonym: 2'-o-methyluridine,uridine, 2'-o-methyl,1-2r,3r,4r,5r-4-hydroxy-5-hydroxymethyl-3-methoxytetrahydrofuran-2-yl pyrimidine-2,4 1h,3h-dione,o 2'-methyluridine,2-o-methyluridine,2'-o-methyl uridine,unii-399vzb6tmb,399vzb6tmb,2'-o-methyl-uridine,um PubChem CID: 102212 ChEBI: CHEBI:19227 IUPAC Name: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione SMILES: COC1C(C(OC1N2C=CC(=O)NC2=O)CO)O
Thermo Scientific Chemicals 2'-O-Methyladenosine, 99%
CAS: 2140-79-6 Molecular Formula: C11H15N5O4 Molecular Weight (g/mol): 281.27 MDL Number: MFCD00056002 InChI Key: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonym: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b PubChem CID: 102213 ChEBI: CHEBI:69426 IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
EX 527
CAS: 49843-98-3 Molecular Formula: C13H13ClN2O Molecular Weight (g/mol): 248.71 MDL Number: MFCD03009471 InChI Key: FUZYTVDVLBBXDL-UHFFFAOYSA-N Synonym: selisistat,sirt1 inhibitor iii,1h-carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro,6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxamide, racemic,selisistat inn,6-chloro-1,2,3,4,9-pentahydro-4ah-carbazolecarboxamide,ex-527 selisistat,ex 527 selisistat,d0e3lp,cambridge id 6859180 PubChem CID: 5113032 IUPAC Name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide SMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N
3-(2-Furyl)propionic acid, 97%
CAS: 935-13-7 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00005346 InChI Key: XLTJXJJMUFDQEZ-UHFFFAOYSA-N Synonym: 3-furan-2-yl propanoic acid,3-2-furyl propanoic acid,2-furanpropanoic acid,2-furanpropionic acid,3-2-furyl propionic acid,3-furan-2-yl-propionic acid,furan-2-propionic acid,3-2-furyl propoinic acid,furfuryl-essigsaure,furfurylacetic acid PubChem CID: 70286 IUPAC Name: 3-(furan-2-yl)propanoic acid SMILES: C1=COC(=C1)CCC(=O)O
cis-4-Cyclohexene-1,2-dicarboxylic anhydride, 95%
CAS: 935-79-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005916 InChI Key: KMOUUZVZFBCRAM-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione PubChem CID: 98495 IUPAC Name: (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione SMILES: C1C=CCC2C1C(=O)OC2=O
(5R,6S)-(-)-4-Benzyloxycarbonyl-5,6-diphenyl-2-morpholinone, 98%
CAS: 100516-54-9 Molecular Formula: C24H21NO4 Molecular Weight (g/mol): 387.44 MDL Number: MFCD00074958 InChI Key: HECRUWTZAMPQOS-UHFFFAOYNA-N Synonym: 2r,3s-benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate,benzyl 2r,3s---6-oxo-2,3-diphenyl-4-morpholinecarboxylate,benzyl 2r,3s-6-oxo-2,3-diphenylmorpholine-4-carboxylate,2r,3s-n-cbz-6-oxo-2,3-diphenylmorpholine,2r,3s---n-z-6-oxo-2,3-diphenylmorpholine,benzyl 2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate,pubchem18045,2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate PubChem CID: 981238 IUPAC Name: benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate SMILES: O=C(OCC1=CC=CC=C1)N1CC(=O)OC(C1C1=CC=CC=C1)C1=CC=CC=C1
1,2,4-Triazin-3-amine, 97%, Thermo Scientific™
CAS: 1120-99-6 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.093 InChI Key: MJIWQHRXSLOUJN-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine PubChem CID: 70715 IUPAC Name: 1,2,4-triazin-3-amine SMILES: C1=CN=NC(=N1)N
Benzothiazole, 97%
CAS: 95-16-9 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.184 MDL Number: MFCD00005775 InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N Synonym: benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep PubChem CID: 7222 ChEBI: CHEBI:45993 IUPAC Name: 1,3-benzothiazole SMILES: C1=CC=C2C(=C1)N=CS2
3-Amino-9-ethylcarbazole, 90%, tech.
CAS: 132-32-1 Molecular Formula: C14H14N2 Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004964 InChI Key: OXEUETBFKVCRNP-UHFFFAOYSA-N Synonym: 3-amino-9-ethylcarbazole,9-ethyl-9h-carbazol-3-amine,3-amino-n-ethylcarbazole,9h-carbazol-3-amine, 9-ethyl,carbazole, 3-amino-9-ethyl,9-ethylcarbazol-3-ylamine,unii-8q2bg27jbu,9-ethylcarbazole-3-ylamine,8q2bg27jbu,9-ethyl-9h-carbazol-3-ylamine PubChem CID: 8588 IUPAC Name: 9-ethylcarbazol-3-amine SMILES: CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31
1-Allylimidazole, 97%
CAS: 31410-01-2 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00037894 InChI Key: XLXCHZCQTCBUOX-UHFFFAOYSA-N Synonym: 1-allylimidazole,1-allyl-1h-imidazole,1-prop-2-en-1-yl-1h-imidazole,1h-imidazole, 1-2-propenyl,1-prop-2-en-1-yl imidazole,imidazole, 1-allyl,n-allylimidazole,1-allyl imidazole,acmc-1cr2q,1-allyl-1h-imidazole # PubChem CID: 35794 IUPAC Name: 1-prop-2-enylimidazole SMILES: C=CCN1C=CN=C1