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General Intermediates of Canada, Inc.

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Contact: Dr. M. Kleiner
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Profile: General Intermediates of Canada, Inc. provides pharmaceutical intermediates, fine chemicals, & biotechnology products. We offer basic pyrimidines, amines, fluorine compounds, nucleoside intermediates, pyridines, purine intermediates, and versatile intermediates. Our basic pyrimidine nucleosides include uridine, 2'-deoxyuridine, cytidine, 2'-deoxycytidine, 5-methyluridine and 2'-deoxy-5-methyluridine. We offer various basic purine nucleosides including adenosine, 2'-deoxyadenosine, guanosine, 2'-deoxyguanosine, inosine and 2'-deoxyinosine. We have developed proprietary technology for many purine intermediates including 6-alkylmercaptoguanines, 3-alklyhypoxanthines, 6-benzylaminopurine, 2-bromoadenine, 8-bromoadenosine, 7-bromoethyl theophylline, 2-bromohypoxanthine, 8-bromoguanine, 2-chlorohypoxanthine, 2,6-dichloropurine and 6,8-dichloropurine. We offer various nucleoside intermediates including 2-aminoadenosine, 2-amino-6-chloropurine riboside, 2-amino-2'-deoxyadenosine, 9-arabinoguanine, 9-arabinoadenine, arabinocytosine, arabinouridine, 9-arabino-2-fluoroadenine, arabinouracil, 2-chloroadenosine, 6-chloropurine riboside, 2'-deoxyguanosine, 3'-deoxyadenosine, 3'-deoxycytidine and 3'-deoxyguanosine.

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• 5-Fluorouracil
IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-21-8
Synonyms: fluorouracil, Fluoroplex, Adrucil, Efudex, Fluoroblastin, Kecimeton, Carzonal, Fluracil, Timazin, Arumel, Efudix, Fluril, Phthoruracil, Fluracilum, Queroplex, Carac, Ulup, Fluro Uracil, Fluorouracilum, Fluroblastin

Molecular Formula: C4H3FN2O2Molecular Weight: 130.077223 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N

• 6-Bromo-3H-thieno[3,2-d]pyrimidin-4-one
IUPAC Name: 6-bromo-1H-thieno[3,2-d]pyrimidin-4-one | CAS Registry Number: 215927-36-9
Synonyms: 6-Bromo-thieno[3,2-d]pyrimidin-4-ol, SureCN4212348, CTK4E7221, CTK5I6511, CTK8H6131, AG-L-60189, AG-L-60207, QC-8619, AK137698, KB-44870, KB-45038, 6-bromothieno[3,2-d]pyrimidin-4(1H)-one, 6-Bromothieno[3,2-d]pyrimidin-4(3H)-one

Molecular Formula: C6H3BrN2OSMolecular Weight: 231.069820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IJSCGMBLRLDHPZ-UHFFFAOYSA-N

• 2-Aminopyrazine
IUPAC Name: pyrazin-2-amine | CAS Registry Number: 1012570-55-6
Synonyms: pyrazin-2-amine, Aminopyrazine, 5049-61-6, Pyrazinamine, 2-Pyrazinamine, pyrazin-2-ylamine, pyrazine-2-ylamine, CHEMBL1834089, AC-907/25014024, zlchem 313, Pyrazine, 2-amino-, AMINO PYRAZINE, 3-AMINOPYRAZINE, 2-Piperazinamine(9CI), AC1L2VVP, SureCN29032, ACMC-209kn1, SureCN432791, AC1Q1I8Q, AC1Q52IM

Molecular Formula: C4H5N3Molecular Weight: 95.102600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N

• 2-Chloroadenosine TIPDS
IUPAC Name: (6aR,8R,9R,9aS)-8-(6-amino-2-chloropurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol | CAS Registry Number: 111556-90-2
Synonyms: 2-chloroadenosine tipds, SCHEMBL4757808

Molecular Formula: C22H38ClN5O5Si2Molecular Weight: 544.196 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: WQJVQPBOCTVQQD-QTQZEZTPSA-N

• 6-Chloroarabinoguanosine
IUPAC Name: (2R,3S,4S,5R)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 120595-74-6
Synonyms: ZINC12958408, FT-0601305, 2-Amino-6-chloro-9-beta-D-arabinofuranosylpurine

Molecular Formula: C10H12ClN5O4Molecular Weight: 301.687 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: TXWHPSZYRUHEGT-FJFJXFQQSA-N

• 2-Chloronicotinic acid methyl ester, n-oxide (CAS: 274933-06-1)
• 3-Dibutylaminoacrolein
IUPAC Name: 3-(dibutylamino)prop-2-enal | CAS Registry Number: 63270-91-7
Synonyms: 2-Propenal, 3-(dibutylamino)-, AGN-PC-00KKFX, CTK2A9549

Molecular Formula: C11H21NOMolecular Weight: 183.290540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IDHUWHYABNVTKT-UHFFFAOYSA-N

• 5-Fluoro-2-methylnicotinic acid
IUPAC Name: 5-fluoro-2-methylpyridine-3-carboxylic acid | CAS Registry Number: 1211534-44-9
Synonyms: SCHEMBL6032875, AKOS030527593

Molecular Formula: C7H6FNO2Molecular Weight: 155.128 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GTFQMCPTTRRZSG-UHFFFAOYSA-N

• 4-Aminomethylpiperidine
IUPAC Name: piperidin-4-ylmethanamine | CAS Registry Number: 7144-05-0
Synonyms: 4-(Aminomethyl)piperidine, 4-Piperidylmethylamine, 4-PIPERIDINEMETHANAMINE, 4-(Amionomethyl)piperidine, Piperidine, 4-(aminomethyl)-, 4-AMP, A65158_ALDRICH, NSC62826, CID23527, EINECS 230-446-3, NSC 62826, SBB004305, FS000601, TL8005012, InChI=1/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LTEKQAPRXFBRNN-UHFFFAOYSA-N

• 3-Hydroxy-6-MethylPyridine
IUPAC Name: 6-methylpyridin-3-ol | CAS Registry Number: 1121-78-4
Synonyms: 6-Methyl-3-pyridinol, 2-Methyl-5-hydroxypyridine, 3-Pyridinol, 6-methyl-, 6-Methylpyridin-3-ol, 5-Hydroxy-2-methylpyridine, 6-Methyl-3-hydroxypyridine, 3-HYDROXY-6-METHYLPYRIDINE, 107263_ALDRICH, EINECS 214-337-8, NSC 27963, NSC27963, BRN 0107077, SBB004349, ZINC00331651, H179, LS-133011, TL8000354, 5-21-02-00139 (Beilstein Handbook Reference), AC-907/25014124

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N

• 4,6-Dihydroxy-5-Nitropyrimidine
IUPAC Name: 4-hydroxy-5-nitro-1H-pyrimidin-6-one | CAS Registry Number: 2164-83-2
Synonyms: 5-Nitro-4,6-pyrimidinediol, 4,6-Dihydroxy-5-nitropyrimidine, 4,6-Pyrimidinediol, 5-nitro-, 5-Nitropyrimidine-4,6-diol, 5-Nitro-4,6-dihydroxypyrimidine, 126233_ALDRICH, STOCK4S-95649, NSC36909, EINECS 218-504-6, NSC 36909, SBB004009, ZINC01081073, ZINC05176575, Pyrimidine, 4,6-dihydroxy-5-nitro-, 4(1H)-Pyrimidinone, 6-hydroxy-5-nitro-, 4,6-DIHYDROXY-5-NITRO PYRIMIDINE, 4,6-Pyrimidinediol, 5-nitro-, (keto form), PB271082334, SR-01000639295-1, 25286-67-3

Molecular Formula: C4H3N3O4Molecular Weight: 157.084320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ABTLZAVJDRUDNG-UHFFFAOYSA-N

• 4-Fluorobenzyl Alcohol
IUPAC Name: (4-fluorophenyl)methanol | CAS Registry Number: 459-56-3
Synonyms: p-Fluorobenzyl alcohol, 4-Fluorobenzyl alcohol, 4-Fluorobenzylic alcohol, Ambap1661, Benzenemethanol, 4-fluoro-, CCRIS 5115, F7407_ALDRICH, 46765_FLUKA, EINECS 207-292-0, NSC 63347, Benzenemethanol, 4-fluoro- (9CI), NSC63347, ZINC00157464, F161, LS-188131

Molecular Formula: C7H7FOMolecular Weight: 126.128283 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N

• 4-Fluorobenzylamine
IUPAC Name: (4-fluorophenyl)methanamine | CAS Registry Number: 140-75-0
Synonyms: 1tnh, p-Fluorobenzylamine, Benzylamine, p-fluoro-, Benzenemethanamine, 4-fluoro-, 162493_ALDRICH, Benzylamine, p-fluoro- (8CI), EINECS 205-430-4, NSC158269, NSC 158269, F117, ST5213775, TL8000911

Molecular Formula: C7H8FNMolecular Weight: 125.143523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYSA-N

• 6-Hydroxy 2,4,5-Triaminopyrimidine Sulfate
IUPAC Name: sulfuric acid; 2,5,6-triamino-1H-pyrimidin-4-one | CAS Registry Number: 1603-02-7
Synonyms: 17376_FLUKA, NSC167378, CID296856, 2,5,6-Triamino-4-pyrimidol sulfate, 2,5,6-Triamino-4-pyrimidol sulfate salt, ST5411704, 4-Hydroxy-2,5,6-triaminopyrimidine sulfate salt, 2-HYDROXY-4,5,6-TRIAMINOPYRIMIDINE SULFATE, 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1), 35011-47-3

Molecular Formula: C4H9N5O5SMolecular Weight: 239.209760 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RSKNEEODWFLVFF-UHFFFAOYSA-N

• 2,4-Dichloro-6-methylpyrimidine
IUPAC Name: 2,4-dichloro-6-methylpyrimidine | CAS Registry Number: 5424-21-5
Synonyms: Ambap1600, 2,6-Dichloro-4-methylpyrimidine, 144185_ALDRICH, Pyrimidine, 2,4-dichloro-6-methyl-, NSC13199, CID79471, EINECS 226-563-4, NSC 13199, ZINC01683310, AI3-26572

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTLKROSJMNFSQZ-UHFFFAOYSA-N

• 5-Bromo-2,4-dichloropyrimidine
IUPAC Name: 5-bromo-2,4-dichloropyrimidine | CAS Registry Number: 36082-50-5
Synonyms: 416762_ALDRICH, 5-Bromo-2,4-dichloro-pyrimidine, CID289973, NSC152517, SBB003301, ZINC01559999, TL8002671, AF-399/25108039

Molecular Formula: C4HBrCl2N2Molecular Weight: 227.874140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SIKXIUWKPGWBBF-UHFFFAOYSA-N

• 3-Hydroxy-2-methylpyridine
IUPAC Name: 2-methylpyridin-3-ol | CAS Registry Number: 1121-25-1
Synonyms: 2-Methyl-3-pyridinol, 2-Methyl-3-hydroxypyridine, 3-Pyridinol, 2-methyl-, 2-Methylpyridin-3-ol, 3-Hydroxy-2-picoline, 268534_ALDRICH, NSC27506, EINECS 214-327-3, BTB 09012, ZINC00153239, H156, AQ-344/40575762

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AQSRRZGQRFFFGS-UHFFFAOYSA-N

• 3-Cyano-4-(trifluoromethyl)pyridine
IUPAC Name: 4-(trifluoromethyl)pyridine-3-carbonitrile | CAS Registry Number: 13600-43-6
Synonyms: 4-(trifluoromethyl)nicotinonitrile, 4-(trifluoromethyl)pyridine-3-carbonitrile, 4-Trifluoromethyl-3-pyridinenitrile, SBB055517, AG-D-73531, ZINC00163228, PubChem9232, SureCN507128, AC1MC68I, SureCN11290617, KSC495C9T, Jsp002180, 4-Trifluoromethyl-nicotinonitrile, CTK3J5199, 4-(Trifluoromethyl)nicotinonitril, MolPort-000-145-609, ACT10403, ANW-51318, CL0200, WT2140

Molecular Formula: C7H3F3N2Molecular Weight: 172.107330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DHIRCRHQLUNYDS-UHFFFAOYSA-N

• 2'3'-Isopropylidene-adenosine
IUPAC Name: [(3aR,4R,6R,6aR)-6-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol | CAS Registry Number: 362-75-4
Synonyms: Maybridge4_003341, I22404_ALDRICH, 2',3'-O-Isopropylideneadenosine, 59440_FLUKA, SBB002962, ZINC04261785, 2',3'-ISOPROPYLIDENE ADENOSINE, NCGC00175949-01, TL8006493

Molecular Formula: C13H17N5O4Molecular Weight: 307.305180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LCCLUOXEZAHUNS-WOUKDFQISA-N

• 2',3'-o-Isopropylideneguanosine
IUPAC Name: 9-[(3aR,4R,6R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-amino-3H-purin-6-one | CAS Registry Number: 362-76-5
Synonyms: 2',3'-Isopropylideneguanosine, EINECS 206-651-9

Molecular Formula: C13H17N5O5Molecular Weight: 323.304580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: XKPDAYWPKILAMO-IOSLPCCCSA-N

• 2-Amino-5-Chloro-3-Picoline
IUPAC Name: 5-chloro-3-methylpyridin-2-amine | CAS Registry Number: 20712-16-7
Synonyms: NSC508755, CID350232

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QTZBTBLHYPSFMG-UHFFFAOYSA-N

• 2-Hydroxy-5-nitropyridine (CAS: 5418-54-9)
• 4-Chloro-7-azaindole
IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 55052-28-3
Synonyms: 4-CHLORO-7-AZAINDOLE, 4-chloro-1H-pyrrolo[2,3-b]pyridine, AG-F-92201, 1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-, AN-584/43416898, PubChem17277, AC1Q3HXF, AC1Q3HXG, ACMC-1AY8O, SureCN100651, 4-CHLORO-7-AZAINDOL, KSC494A8L, AGN-PC-0084ST, 4-chloropyrrolo[2,3-b]pyridine, CTK3J4085, HIN1337, MolPort-001-758-292, ACN-S002668, ACT03614, 4-chlor-1H-pyrrolo[2,3-b]pyridin

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HNTZVGMWXCFCTA-UHFFFAOYSA-N

• 3-Methyl pyridine-2-carboxylic acid
IUPAC Name: 3-methylpyridine-2-carboxylic acid | CAS Registry Number: 4021-07-2
Synonyms: 3-Methylpicolinic acid, 512362_ALDRICH, NSC109145, CID268757

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LMHIBYREWJHKNZ-UHFFFAOYSA-N

• 5-Methylpyridine-3-carbonitrile
IUPAC Name: 5-methylpyridine-3-carbonitrile | CAS Registry Number: 42885-14-3
Synonyms: 5-methylnicotinonitrile, 3-Cyano-5-methylpyridine, 661929_ALDRICH, 3-pyridinecarbonitrile, 5-methyl-, EINECS 255-988-8, InChI=1/C7H6N2/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,1H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VDWQWOXVBXURMT-UHFFFAOYSA-N

• 3-Bromo-4-phenylpyridine
IUPAC Name: 3-bromo-4-phenylpyridine | CAS Registry Number: 88345-89-5
Synonyms: 3-bromo-4-phenylpyridine, 4-Phenyl-3-bromopyridine, AC1MC7K2, SureCN1203821, Pyridine,3-bromo-4-phenyl-, 3-bromanyl-4-phenyl-pyridine, (3-Bromopyridin-4-yl)benzene, CTK5F9647, MolPort-001-770-971, OR9978, ZINC02599071, AG-H-55887, RP05643, BL000497, KB-87749, Y4468, A842547, 4-Phenyl-3-bromopyridine;3-Bromo-4-phenylpyridine;

Molecular Formula: C11H8BrNMolecular Weight: 234.091920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LVNPADQPUYHCOR-UHFFFAOYSA-N

• 2'-Deoxy-5-Iodocytidine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one | CAS Registry Number: 611-53-0
Synonyms: Ibacitabine, iododeoxycytidine, Ibacitabine [INN], 5-Iodo-2'-deoxycytidine, Ibacitabinum [Latin], 5-Iododeoxycytidine, Ibacitabina [Spanish], Ibacitabine (INN), 2'-Deoxy-5-iodocytidine, CCRIS 2826, C9H12IN3O4, EINECS 210-269-8, AIDS023080, NSC 527083, AIDS-023080, CID65050, ZINC17174212, AI3-62629, Cytidine, 2'-deoxy-5-iodo- (8CI), LS-176153

Molecular Formula: C9H12IN3O4Molecular Weight: 353.113750 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: WEVJJMPVVFNAHZ-RRKCRQDMSA-N

• 2-Amino-4-Methylpyridine (CAS: 695-31-1)
• 4-Bromobenzyl Alcohol (CAS: 1873-75-6)
• 5-(Trifluoromethyl)-2'-Deoxycytidine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one | CAS Registry Number: 66384-66-5
Synonyms: TFMDC, 2'-Deoxy-5-trifluoromethylcytidine, 5-Trifluoromethyl-2'-deoxycytidine, CID125618, ZINC03595423, Cytidine, 2'-deoxy-5-(trifluoromethyl)-, 5-TRIFLUOROMETHYL-2'- DEOXYCYTIDINE, TL8004705

Molecular Formula: C10H12F3N3O4Molecular Weight: 295.215190 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: XNSPCSMIPDACTB-RRKCRQDMSA-N

• 1,3-DIBROMO-2-BUTANONE
IUPAC Name: 1,3-dibromobutan-2-one | CAS Registry Number: 815-51-0
Synonyms: 1,3-dibromo-2-butanone, 1,3-dibromo-butan-2-one, 2-Butanone,1,3-dibromo-, CTK5E8897, AG-H-27312

Molecular Formula: C4H6Br2OMolecular Weight: 229.897840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XVMIKRZPDSXBTP-UHFFFAOYSA-N

• 2,4-Diamino-6-mercaptopyrimidine
IUPAC Name: 2,6-diamino-1H-pyrimidine-4-thione | CAS Registry Number: 56-08-6
Synonyms: NSC12888, EINECS 279-657-2, ZINC01683154, 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate, 81012-96-6

Molecular Formula: C4H6N4SMolecular Weight: 142.182240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SOUUDGAWOJKDRN-UHFFFAOYSA-N

• 5-Methylindole
IUPAC Name: 5-methyl-1H-indole | CAS Registry Number: 614-96-0
Synonyms: 5-Methylindol, Indole, 5-methyl-, 5-METHYLINDOLE, 5-Methyl-1H-indole, 1H-Indole, 5-methyl-, Indole, 5-methyl- (8CI), 222410_ALDRICH, 1H-Indole, 5-methyl- (9CI), BB_SC-1558, EINECS 210-400-9, NSC522562, ZINC01605250, M2329G1, NSC 522562, TL8003895, M-3914, InChI=1/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N

• 2-Deoxy-2-fluoro-1,3,5-tri-O-benzoyl-alpha-D-arabinofuranose
IUPAC Name: [(2R,3S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate | CAS Registry Number: 97614-43-2
Synonyms: 2-deoxy-2-fluoro-1,3,5-tri-O-benzoyl-|A-D-arabinofuranose, 2-Deoxy-2-fluoro-|A-D-arabinofuranose 1,3,5-Tribenzoate, 2'-Fluoro-2'-deoxy-1,3,5-tri-O-benzoyl-|A-D-arabinofuranose

Molecular Formula: C26H21FO7Molecular Weight: 464.439143 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: JOAHVPNLVYCSAN-PPTKZWKYSA-N

• 5-Cyano-2-trifluoromethyl pyridine
IUPAC Name: 6-(trifluoromethyl)pyridine-3-carbonitrile | CAS Registry Number: 216431-85-5
Synonyms: 6-(Trifluoromethyl)nicotinonitrile, 5-cyano-2-(trifluoromethyl)pyridine, 6-(trifluoromethyl)pyridine-3-carbonitrile, 6-Trifluoromethyl-nicotinonitrile, 2-trifluoromethyl-5-cyanopyridine, 3-cyano-6-trifluoromethylpyridine, SBB055624, AG-E-58563, ZINC00154407, AC1MCRSU, PubChem14525, ACMC-209fmx, SureCN524167, KSC495E8B, 6-Trifluoromethylnicotinonitrile, 640093_ALDRICH, Jsp004398, CTK3J5280, MolPort-000-159-063, ACN-S003133

Molecular Formula: C7H3F3N2Molecular Weight: 172.107330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZBLULFJVRGVQAW-UHFFFAOYSA-N

• 6-Methylpicolinic Acid
IUPAC Name: 6-methylpyridine-2-carboxylic acid | CAS Registry Number: 934-60-1
Synonyms: 6-Methylpicolinic acid, Picolinic acid, 6-methyl-, 2-Carboxy-6-methylpyridine, 2-Picoline-6-carboxylic acid, TPC-PY028, 462128_ALDRICH, 2-Pyridinecarboxylic acid, 6-methyl-, 6-Methyl-2-pyridinecarboxylic acid, 6-Methylpyridine-2-carboxylic acid, AIDS020398, AIDS-020398, NSC26023, Picolinic acid, 6-methyl- (8CI), EINECS 213-287-4, 6-Methyl-pyridine-2-carboxylic acid, NSC 26023, 2-Pyridinecarboxylic acid, 6-methyl- (9CI), AO-801/41077373

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LTUUGSGSUZRPRV-UHFFFAOYSA-N

• 3-Oxobutanenitrile
IUPAC Name: 3-oxobutanenitrile | CAS Registry Number: 2469-99-0
Synonyms: 3-Oxobutyronitrile, NCC(CH3)CO, ZERO/008331, CID75579, EINECS 219-590-8, ZINC01301241

Molecular Formula: C4H5NOMolecular Weight: 83.088600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OPXYNEYEDHAXOM-UHFFFAOYSA-N

• 6-(Trifluoromethyl)nicotinic acid (CAS: 232191-22-8)
• 8-HYDROXYADENINE
IUPAC Name: 6-amino-7,9-dihydropurin-8-one | CAS Registry Number: 21149-26-8
Synonyms: Oxyadenine, Oksaden, Oxaden, 8-Oxoadenine, 8-Hydroxyadenine, 6-Amino-8-purinol, 6-Amino-8-hydroxypurine, 7,8-Dhoa, 6-Amino-9H-purin-8-ol, 7,8-Dihydro-8-oxoadenine, Oprea1_197965, Oprea1_428248, 1H-Purin-6-amine, 8-hydroxy-, Purin-8(9H)-one, 6-amino-, CHEBI:351476, MolPort-001-903-972, MolPort-002-054-636, 6-Amino-7,9-dihydro-purin-8-one, NSC24123, NSC 24123

Molecular Formula: C5H5N5OMolecular Weight: 151.126100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: RGKBRPAAQSHTED-UHFFFAOYSA-N

• 6-Amino-9H-purine-8-thiol
IUPAC Name: 6-amino-7,9-dihydropurine-8-thione | CAS Registry Number: 7390-62-7
Synonyms: Meradine, Oprea1_641664, Oprea1_673084, MLS002638900, MolPort-000-901-249, MolPort-001-785-767, NSC22721, EINECS 230-974-4, 6-amino-9H-purin-8-yl hydrosulfide, NSC 22721, 8H-Purine-8-thione, 6-amino-1,7-dihydro-, CID5354970, BAS 00012543, SMR001548362, 6-Amino-1,7-dihydro-8H-purine-8-thione, AI3-50260, EU-0001455, AE-848/32323029, AI-942/25034069, F0451-1352

Molecular Formula: C5H5N5SMolecular Weight: 167.191700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BHVOFCPOXNYVCE-UHFFFAOYSA-N

• 9-[2,3,5-tri-O-acetyl-beta-D-ribofuranosyl]-2-amino-6-chloropurine
IUPAC Name: [(2R,3S,4S,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate | CAS Registry Number: 16321-99-6
Synonyms: 6-Chloro-6-deoxy-2',3',5'-tri-O-acetylguanosine, CTK8B2996, ANW-41564, ZINC04802707, AG-J-75285, 9H-Purine,2-amino-6-chloro-9-b-D-ribofuranosyl-, 2',3',5'-triacetate (8CI); 9H-Purine,2-amino-6-chloro-9-b-O-ribofuranosyl-, 2',3',5'-triacetate (7CI);2-Amino-6-chloro-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)purine; 2-Amino-6-chloropurineribonucleoside triacetate; 2',3',5'-Tri-O-acetyl-6-chloroguanosine; NSC 70388

Molecular Formula: C16H18ClN5O7Molecular Weight: 427.796420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: HLVGVJFVAKPFOZ-CKRXIKOQSA-N

• 2-CHLOROADENOSINE (CAS: 246-77-0)
• 2-MERCAPTO-4,5,6-TRIAMINOPYRIMIDINE
IUPAC Name: 4,5,6-triamino-1H-pyrimidine-2-thione | CAS Registry Number: 1073-99-0
Synonyms: NSC45760, NSC 45760, 4,5,6-Triamino-2-mercaptopyrimidine, 2(1H)-Pyrimidinethione, 4,5,6-triamino-, 4,5,6-Triamino-2(1H)-pyrimidinethione, CID3034502, LS-135659

Molecular Formula: C4H7N5SMolecular Weight: 157.196880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: FLMUXLUXSRKQID-UHFFFAOYSA-N

• 2-BROMOFLUOROBENZENE (CAS: 1027-85-1)
• 3-METHOXYACROLEIN
IUPAC Name: (E)-3-methoxyprop-2-enal | CAS Registry Number: 4652-35-1
Synonyms: beta-Methoxyacrolein, beta-Methoxy-acrolein, 3-Methoxy-2-propenal, 2-Propenal, 3-methoxy-, ACROLEIN, 3-METHOXY-, 2-Propenal, 3-methoxy- (9CI), BRN 2321989, CID6433415, LS-14621

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJQSLJZYZFSHAI-DUXPYHPUSA-N

• 4,5-DIAMINO-2-HYDROXY-6-MERCAPTOPYRIMIDINE HEMISULFATE SALT
IUPAC Name: 5,6-diamino-4-sulfanylidene-1H-pyrimidin-2-one;sulfuric acid | CAS Registry Number: 117043-64-8
Synonyms: AKOS015910514, I14-40639, 4,5-Diamino-2-hydroxy-6-mercaptopyrimidine hemisulfate salt

Molecular Formula: C8H14N8O6S3Molecular Weight: 414.441760 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 12

InChIKey: CPMIQTKEFQJCPM-UHFFFAOYSA-N

• 4,5-DICHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
IUPAC Name: 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine | CAS Registry Number: 873792-86-0
Synonyms: AGN-PC-00AHOC, CTK5F8307, AG-H-52561, KB-239456, 4,5-dichloro-1h-pyrrolo[2,3-d]pyrimidin-2-amine, 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine, 7H-Pyrrolo[2,3-d]pyrimidin-2-amine,4,5-dichloro-, 1H-Pyrrolo[2,3-d]pyrimidin-2-amine,4,5-dichloro- (9CI)

Molecular Formula: C6H4Cl2N4Molecular Weight: 203.028760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PCVVGPYKRWHBKE-UHFFFAOYSA-N

• 6-METHYLPURINE-2'-DEOXYRIBOSIDE
IUPAC Name: 2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol | CAS Registry Number: 16006-64-7
Synonyms: 6-Methylpurine 2'-deoxyriboside, CID266223, NSC103543, DB03735, 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE, (2R,3S,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol

Molecular Formula: C11H14N4O3Molecular Weight: 250.253860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SJXRKKYXNZWKDB-UHFFFAOYSA-N

• 1,3-Diaminopropane
IUPAC Name: propane-1,3-diamine | CAS Registry Number: 109-76-2
Synonyms: 1,3-Propanediamine, 1,3-diaminopropane, Trimethylenediamine, Propane-1,3-diamine, Propandiamine, TMEDA, 1,3-Propylenediamine, alpha,omega-Propanediamine, Spectrum_001150, SpecPlus_000418, Spectrum4_001903, Spectrum5_000586, WLN: Z3Z, CCRIS 4054, D23602_ALDRICH, KBioGR_002492, KBioSS_001630, DivK1c_006514, CID428, NSC 8154

Molecular Formula: C3H10N2Molecular Weight: 74.124900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

• 2-mercaptopyridine
IUPAC Name: 1H-pyridine-2-thione | CAS Registry Number: 2637-34-5
Synonyms: 2-Pyridinethiol, Pyrid-2-thione, 2-Mercaptopyridine, 2-Thiopyridine, Pyridinethione, Pyridine-2-thiol, 2-Thiopyridone, 2-Pyridinethione, 2-Pyridyl mercaptan, 2(1H)-PYRIDINETHIONE, Thiopyridone-2 [French], WLN: T6NJ BSH, M5852_ALDRICH, EINECS 220-131-9, NSC 41337, AIDS022106, AIDS-022106, NSC41337, EINECS 249-657-7, LS-132090

Molecular Formula: C5H5NSMolecular Weight: 111.164900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: WHMDPDGBKYUEMW-UHFFFAOYSA-N


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