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• Benzylchlorodimethylsilane
IUPAC Name: benzyl-chloro-dimethylsilane | CAS Registry Number: 1833-31-4
Synonyms: Benzyldimethylchlorosilane, SILANE, BENZYLCHLORODIMETHYL-, 562378_ALDRICH, Silane, chlorodimethyl(phenylmethyl)-, MolPort-002-498-279, CID15780, BRN 2935456, Benzene, ((chlorodimethylsilyl)methyl)-, LS-145141, B2334, 4-16-00-01497 (Beilstein Handbook Reference), 178664-50-1

Molecular Formula: C9H13ClSiMolecular Weight: 184.738020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ABHNFDUSOVXXOA-UHFFFAOYSA-N

• Benzyldimethylsilane
IUPAC Name: benzyl(dimethyl)silicon | CAS Registry Number: 1631-70-5
Synonyms: Dimethyl(phenylmethyl)silane, Silane, dimethyl(phenylmethyl)-, NSC155373, Benzene, ((dimethylsilyl)methyl)-, CID6328719, NSC 155373

Molecular Formula: C9H13SiMolecular Weight: 149.285020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SKDKWDVYZOKBPL-UHFFFAOYSA-N

• Diclofenac Sodium
IUPAC Name: sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate | CAS Registry Number: 15307-79-6
Synonyms: Diclofenac sodium, Solaraze, Voltaren, Prophenatin, Arthrotec, Dichronic, Neriodin, Orthophen, Tsudohmin, Voltarol, Feloran, Kriplex, Ortofen, Valetan, Sodium diclofenac, diclofenac, Anthraxiton, Allvoran, Delphimix, Voltarene

Molecular Formula: C14H10Cl2NNaO2Molecular Weight: 318.130470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KPHWPUGNDIVLNH-UHFFFAOYSA-M

• Diclofenac, Potassium salt
IUPAC Name: potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate | CAS Registry Number: 15307-81-0
Synonyms: Cataflam, Diclofenac potassium, Cataflam (TN), Ambap2212, Diclofenac potassium [USAN], Diclofenac potassium (USAN), C14H10Cl2NO2.K, CGP 45840B, CHEBI:4508, CID66378, LS-173441, Potassium (o-(2,6-dichloroanilino)phenyl)acetate, D00903, potassium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate, Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monopotassium salt, 2-((2,6-dichlorophenyl)amino)benzeneacetic acid, monopotassium salt, 15307-86-5

Molecular Formula: C14H10Cl2KNO2Molecular Weight: 334.239000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KXZOIWWTXOCYKR-UHFFFAOYSA-M

• Diphenylmethylene Glycine Ethyl Ester
IUPAC Name: ethyl 2-[di(phenyl)methylideneamino]acetate | CAS Registry Number: 69555-14-2
Synonyms: TimTec1_000215, Oprea1_254719, 43121_FLUKA, 222542_SIAL, Ethyl (diphenylmethylenamino)acetate, Ethyl [(diphenylmethylene)amino]acetate, CID319508, N-(Diphenylmethylene)glycine ethyl ester, NSC263808, ZINC00055052, NCGC00175354-01, ST002543

Molecular Formula: C17H17NO2Molecular Weight: 267.322380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QUGJYNGNUBHTNS-UHFFFAOYSA-N

• Diphenylmethylene-Glycine T-Butyl Ester
IUPAC Name: tert-butyl 2-[di(phenyl)methylideneamino]acetate | CAS Registry Number: 81477-94-3
Synonyms: ZINC00056807, 364487_SIAL, CID688171, tert-Butyl(diphenylmethyleneamino)acetate, N-(Diphenylmethylene)glycine tert-butyl ester

Molecular Formula: C19H21NO2Molecular Weight: 295.375540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YSHDPXQDVKNPKA-UHFFFAOYSA-N

• Ethyl 2-aminothiazole-4-carboxylate
IUPAC Name: ethyl 2-amino-1,3-thiazole-4-carboxylate | CAS Registry Number: 5398-36-7
Synonyms: TimTec1_000957, Oprea1_347195, Oprea1_396207, NSC4464, AIDS073075, AIDS-073075, ALBB-005840, NSC 4464, NSC43547, NSC 43547, SBB000178, ZINC01246200, E2339G1, SDCCGMLS-0065431.P001, SDCCGMLS-0065431.P002, NCGC00174941-01, BAS 00084455, ethyl 2-amino-1,3-thiazole-4-carboxylate, AI3-18592, TL8003539

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XHFUVBWCMLLKOZ-UHFFFAOYSA-N

• Ethyl 2-aminothiazole-5-carboxylate
IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate | CAS Registry Number: 32955-21-8
Synonyms: Oprea1_514496, NSC233051, CID314628, ZINC01509680, E2641G1, ethyl 2-amino-1,3-thiazole-5-carboxylate, TL8002486, 2Z-0725

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VNZXERIGKZNEKB-UHFFFAOYSA-N

• Ethyl 2-bromothiazole-5-carboxylate
IUPAC Name: ethyl 2-bromo-1,3-thiazole-5-carboxylate | CAS Registry Number: 41731-83-3
Synonyms: 642495_ALDRICH, ZINC00407931, CID3614103, E2650G1

Molecular Formula: C6H6BrNO2SMolecular Weight: 236.086340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KTYIFXLNIMPSKI-UHFFFAOYSA-N

• ethyl 2-Cyano-4,4-diethoxybutyrate
IUPAC Name: ethyl 2-cyano-4,4-diethoxybutanoate | CAS Registry Number: 52133-67-2
Synonyms: Ethyl 2-cyano-4,4-diethoxybutyrate, Ethyl 2,2-diethoxyethylcyanoacetate, ethyl 2-cyano-4,4-diethoxybutanoate, AG-F-77403, 2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester, zlchem 173, Ethyl 2-cyano-4,4-diethoxy-butanoate, PubChem13692, AC1N48NE, KSC269G6T, CTK1G9369, ZLB0164, MolPort-003-847-208, Ethyl-2,2-diethoxythylcyanoacetate, ACT02948, AB2838, ANW-47538, SBB066982, AKOS000281353, LS40726

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AHKACZDKUNMFBD-UHFFFAOYSA-N

• Ethyl 4-Amino-2-Mercaptopyrimidine-5-Carboxylate
IUPAC Name: ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate | CAS Registry Number: 774-07-2
Synonyms: Maybridge1_001122, NSC9308, NSC 9308, STOCK1S-80257, ZERO/004627, BTB04316, WLN: T6N CNJ BSH DZ EVO2, CID759149, STK258051, ZINC18243889, Ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate, BAS 11151621, 4-Amino-5-carbethoxy-2-mercapto pyridimine, LS-134838, EU-0033308, Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, Ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate, ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester, AN-584/40148165

Molecular Formula: C7H9N3O2SMolecular Weight: 199.230260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DKTWKRWWQKVQQB-UHFFFAOYSA-N

• Ethyl indole-5-carboxylate
IUPAC Name: ethyl 1H-indole-5-carboxylate | CAS Registry Number: 32996-16-0
Synonyms: Ethyl 1H-indole-5-carboxylate, Indole-5-carboxylicacidethylester, SBB066735, AG-F-10781, 1H-Indole-5-carboxylic acid ethyl ester, ACMC-209hxp, SureCN1222893, KSC493M1R, CTK3J3618, MolPort-001-769-151, ACN-S002841, ACT03585, ANW-27515, ZINC02572399, AKOS006229575, AK-79419, BR-79419, KB-51592, A5894, FT-0627225

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PDXPRWCJESNIIT-UHFFFAOYSA-N

• Flufenamic acid
IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid | CAS Registry Number: 530-78-9
Synonyms: flufenamic acid, Arlef, Fluphenamic acid, Nichisedan, Tecramine, Flufacid, Fullsafe, Plostene, Achless, Lanceat, Paraflu, Parlef, Parlif, Surika, Reumajust A, Ristogen, Sastridex, Ansatin, Meralen, Dignodolin

Molecular Formula: C14H10F3NO2Molecular Weight: 281.229910 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N

• Guaiacol Glyceryl Ether
IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol | CAS Registry Number: 93-14-1
Synonyms: guaifenesin, Metfenossidiolo, Methphenoxydiol, Guiaphenesin, Flartussin, Robitussin, Aeronesin, Breonesin, Cortussin, Bronchol, Calmipan, Dorassin, Gaiamar, Aresol, Creson, Dilyn, Guaiphenesine, Guaiacurane, Guaiphenesin, Propanosedyl

Molecular Formula: C10H14O4Molecular Weight: 198.215760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HSRJKNPTNIJEKV-UHFFFAOYSA-N

• Hf-Pyridine
IUPAC Name: pyridine hydrofluoride | CAS Registry Number: 32001-55-1
Synonyms: HF-Pyridine, Pyridinium fluoride, Pyridine-hydrofluoride, Pyridine, hydrofluoride, Hydrogen fluoride pyridine, Hydrogen Fluoride-Pyridine, 184225_ALDRICH, EINECS 250-889-6, TL8002435, Hydrogen fluoride, pyridine reagent, anhydrous, 3S107831, 3S210994, 110-86-1, 71398-22-6

Molecular Formula: C5H6FNMolecular Weight: 99.106243 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GRJJQCWNZGRKAU-UHFFFAOYSA-N

• Indole-3-methyl acetate
IUPAC Name: methyl 2-(1H-indol-3-yl)acetate | CAS Registry Number: 1912-33-0
Synonyms: IAA methyl ester, methyl IAA, MeIAA, Methyl indole-3-acetate, Methyl 3-indolylacetate, Methyl indol-3-ylacetate, Indole-3-acetic acid, methyl ester, Methyl .beta.-indoleacetate, NCIOpen2_000050, I9770_SIGMA, 57350_FLUKA, Indole-3-acetic acid methyl ester, methyl 2-(1H-indol-3-yl)acetate, CID74706, NSC63806, 1H-INDOLE-3-ACETIC ACID, METHYL ESTER, EINECS 217-622-5, CPD-10546, .beta.-Indolylacetic acid methyl ester, ST5409919

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KTHADMDGDNYQRX-UHFFFAOYSA-N

• Indole-4-carboxaldehyde
IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Indole-7-carboxylic acid
IUPAC Name: 1H-indole-7-carboxylic acid | CAS Registry Number: 1670-83-3
Synonyms: 7-Indolecarboxylic acid, 1H-Indole-7-carboxylic acid, Oprea1_470510, Oprea1_510927, CID74281, EINECS 216-801-5, BAS 00733696, ST5169434, EU-0067136, H29042, I-2360

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N

• L-Pyroglutaminol
IUPAC Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one | CAS Registry Number: 17342-08-4
Synonyms: 366366_ALDRICH, 5-(hydroxymethyl)pyrrolidin-2-one, SBB004302, ZINC04202249, 2-Pyrrolidinone, 5-(hydroxymethyl)-, S)-5-(Hydroxymethyl)-2-pyrrolidinone, (S)-5-(Hydroxymethyl)-2-pyrrolidinone, TL8006226, InChI=1/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HOBJEFOCIRXQKH-BYPYZUCNSA-N

• Mefenamic Acid
IUPAC Name: 2-(2,3-dimethylanilino)benzoic acid | CAS Registry Number: 61-68-7
Synonyms: mefenamic acid, Ponstel, Parkemed, Mefacit, Ponalar, Ponstan, Coslan, Vialidon, Bonabol, Lysalgo, Tanston, Mephenamic acid, Methenamic acid, Bafameritin-M, Tamany Bonsan, Pontal, Mephenaminic acid, Ponstan forte, Mefedolo, Mycasaal

Molecular Formula: C15H15NO2Molecular Weight: 241.285100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HYYBABOKPJLUIN-UHFFFAOYSA-N

• Mephenoxalone
IUPAC Name: 5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 70-07-5
Synonyms: Mefenoxalona, Dorsiflex, MEPHENOXALONE, Mefenoxalone, Oxazolidinone, Lenetranat, Methoxadone, Metoxadone, Transpoise, Dorsilon, Lenetran, Moderamin, Placidex, Trepidone, Valanas, Ekilan, Riself, Xerene, Mephenoxalonum, Lenetran TAB

Molecular Formula: C11H13NO4Molecular Weight: 223.225220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZMNSRFNUONFLSP-UHFFFAOYSA-N

• Mequitazine
IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-8-ylmethyl)phenothiazine | CAS Registry Number: 29216-28-2
Synonyms: mequitazine, Primalan, Virginan, Mircol, Metaplexan, Instotal, Vigigan, Quitadrill, Kitazemin, Mequitazina [Spanish], Kitazemin (TN), Mequitazinum [INN-Latin], Mequitazina [INN-Spanish], mequitazine hydrochloride, Mequitazine (JP15/INN), LM 209, MLS000757058, MLS001201790, NSC303612, Italfarmaco brand of mequitazine

Molecular Formula: C20H22N2SMolecular Weight: 322.467080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HOKDBMAJZXIPGC-UHFFFAOYSA-N

• Methocarbamol
IUPAC Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate | CAS Registry Number: 532-03-6
Synonyms: methocarbamol, Delaxin, Robaxin, Metocarbamolo, Metocarbamol, Romethocarb, Lumirelax, Metofenia, Miolaxene, Myolaxene, Parabaxin, Relestrid, Surquetil, Tresortil, Etroflex, Methocal, Miorilas, Neuraxin, Reflexyn, Perilax

Molecular Formula: C11H15NO5Molecular Weight: 241.240500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N

• Methyl 2-amino-4-methylthiazole-5-carboxylate
IUPAC Name: methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 3829-80-9
Synonyms: Oprea1_555633, Oprea1_786939, IFLab1_004106, ZINC00107756, ALBB-000268, CID713653, SBB000179, SDCCGMLS-0065506.P001, methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate, AG-670/25010006

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: TYUGYIMCRDPMPJ-UHFFFAOYSA-N

• Methyl 4-methylthiazole-5-carboxylate
IUPAC Name: methyl 4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 81569-44-0
Synonyms: Methyl 4-methyl-5-thiazolecarboxylate, methyl 4-methyl-1,3-thiazole-5-carboxylate, METHYL4-METHYLTHIAZOLE-5-CARBOXYLATE, ZINC00039512, PubChem9931, AC1LDWLB, SureCN255470, CTK4I8925, MolPort-002-887-000, ANW-50375, FC0895, AKOS005146043, AC-7645, AG-F-58283, CL 1163, MCULE-2693804512, methyl 4-methyl thiazole-5-carboxylate, RP22107, AK-27820, BR-27820

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RRCLLMUIJYXSGZ-UHFFFAOYSA-N

• Methyl Indolyl-3-glyoxylate
IUPAC Name: methyl 2-(1H-indol-3-yl)-2-oxoacetate | CAS Registry Number: 18372-22-0
Synonyms: Methyl 3-indoleglyoxylate, CBMicro_025140, 515213_ALDRICH, ZINC02169007, Methyl 1H-indol-3-yl(oxo)acetate, CID588944, INDOLE-3-GLYOXYLIC METHYLESTER, Indole-3-glyoxylic acid, methyl ester, BAS 00654949, BIM-0025047.P001, ST5236877, TL8006243, EU-0001423, (1H-Indol-3-yl)-oxo-acetic acid methyl ester, I-2810

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFIJGAWYVXDYLK-UHFFFAOYSA-N

• Methyl oxindole-6-carboxylate
IUPAC Name: methyl 2-oxo-1,3-dihydroindole-6-carboxylate | CAS Registry Number: 14192-26-8
Synonyms: ZINC02384046, CID3734372, O-6130

Molecular Formula: C10H9NO3Molecular Weight: 191.183360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YFTGUNWFFVDLNM-UHFFFAOYSA-N

• Methyl(4r,5s)-2,2,5-Trimethyl-1,3-Dioxolane-4-Carboxylate
IUPAC Name: methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate | CAS Registry Number: 78086-72-3
Synonyms: Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate, 4-Deoxy-2,3-O-isopropylidene-L-threonic acid methyl ester, Methyl (2R,3S)-2,3-O-isopropylidene-2,3-dihydroxybutyrate, AC1LGXFR, SureCN7204854, 59436_ALDRICH, 59436_FLUKA, AKOS015850838, AKOS015915846, FT-0080255, FT-0650843, A839332, I14-52884, (4R,5S)-2,2,5-Trimethyl-[1,3]dioxolane-4-carboxylic acid, (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid methyl ester

Molecular Formula: C8H14O4Molecular Weight: 174.194360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AELKYRWKHKGMAD-NTSWFWBYSA-N

• Morpholine-4-carbothioic Acid Amide
IUPAC Name: morpholine-4-carbothioamide | CAS Registry Number: 14294-10-1
Synonyms: 4-Morpholinecarbothioamide, morpholine-4-carbothioamide, NSC191802, ZINC03278049, CID2393544, ST012338, AB-601/30915025

Molecular Formula: C5H10N2OSMolecular Weight: 146.210700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GSLBUBZXFUYMSW-UHFFFAOYSA-N

• N-Ethyl-2-PhenylIndole
IUPAC Name: 1-ethyl-2-phenylindole | CAS Registry Number: 13228-39-2
Synonyms: 1-Ethyl-2-phenyl-1H-indole, 1H-Indole, 1-ethyl-2-phenyl-, ZINC02156450, CID83248, EINECS 236-199-8, ST5408104, E-8400

Molecular Formula: C16H15NMolecular Weight: 221.297000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RAKSXVONTIQCGY-UHFFFAOYSA-N

• N-tert-Butoxycarbonylhydroxylamine
IUPAC Name: tert-butyl N-hydroxycarbamate | CAS Registry Number: 36016-38-3
Synonyms: N-Boc-hydroxylamine, tert-Butyl N-hydroxycarbamate, tert-Butyl hydroxycarbamate, 226157_ALDRICH, 55005_FLUKA, EINECS 252-836-2, NSC131086, NSC144620, ZINC00155424, FS000031

Molecular Formula: C5H11NO3Molecular Weight: 133.145740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DRDVJQOGFWAVLH-UHFFFAOYSA-N

• Quinoline-5-carboxaldehyde
IUPAC Name: quinoline-5-carbaldehyde | CAS Registry Number: 22934-41-4
Synonyms: Quinoline-5-carbaldehyde, 5-Formylquinoline, 5-quinolinecarboxaldehyde, SBB027271, ZINC00241387, AC1MT1CR, ACMC-1CMC3, 5-QUINOLINECARBALDEHYDE, Jsp004625, CTK4F0496, MolPort-000-353-556, ANW-57922, AKOS000270284, AB07320, AC-2553, AG-E-66284, MCULE-4416280152, RP01942, AK-25619, ST095216

Molecular Formula: C10H7NOMolecular Weight: 157.168680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BNEVFKZLYCGDFG-UHFFFAOYSA-N

• Quinolinic Anhydride
IUPAC Name: furo[3,4-b]pyridine-5,7-dione | CAS Registry Number: 699-98-9
Synonyms: Quinolinic anhydride, 2,3-Pyridinedicarboxylic anhydride, Furo[3,4-b]pyridine-5,7-dione, P64405_ALDRICH, Pyridine-2,3-dicarboxylic anhydride, AIDS189642, Furo(3,4-b)pyridine-5,7-dione, AIDS-189642, NSC44309, EINECS 211-834-1, NSC 44309, ZINC08100881, EC-000.1421, 2,3-Pyridinedicarboxylic anhydride treated BSA, AC-907/25014149, 2,3-Pyridinedicarboxylic anhydride treated bovine serum albumin

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N

• Talniflumate
IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate | CAS Registry Number: 66898-62-2
Synonyms: Somalgen, Lomucin, Somalgen (TN), Talniflumate [USAN:INN], Talniflumatum [INN-Latin], Talniflumato [INN-Spanish], Talniflumate (USAN/INN), C21H13F3N2O4, MSI-1995, BRN 0503261, BA 7602-06, Ba-7602-06, NCGC00167754-01, LS-96640, Phthalidyl 2-(3-trifluoromethylanilino)nicotinate, D02701, Phthalidyl 2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinate, 2-(alpha,alpha,alpha-Trifluoro-m-toluidino)nicotinic acid phthalidyl ester, 3-Ftalidilico del acido 2-((3-(trifluormetil)fenil)amino)-3-piridincarboxilico [Spanish], 3-Phthalidyl ester of 2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid

Molecular Formula: C21H13F3N2O4Molecular Weight: 414.334130 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: ANMLJLFWUCQGKZ-UHFFFAOYSA-N

• tert-Butyl carbamate
IUPAC Name: tert-butyl carbamate | CAS Registry Number: 4248-19-5
Synonyms: Boc-amide, T-butyl carbamate, 167398_ALDRICH, 21759_FLUKA, Carbamic acid, 1,1-dimethylethyl ester, CID77922, EINECS 224-209-3, NSC131089, ZINC00388418, TL8003021, BOC

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LFKDJXLFVYVEFG-UHFFFAOYSA-N

• Tolfenamic Acid
IUPAC Name: 2-(4-chloro-3-methylanilino)benzoic acid | CAS Registry Number: 13710-19-5
Synonyms: tolfenamic acid, Clotam, clotame, Rociclyn, Bifenac, Clotam (TN), C14H12ClNO2, Tolfenamic acid (JAN/INN), Acide tolfenamique [INN-French], Acido tolfenamico [INN-Spanish], Acidum tolfenamicum [INN-Latin], GEA 6414, DivK1c_000791, Zambon brand of tolfenamic acid, N-(3-Chloro-o-tolyl)anthranilic acid, EINECS 237-264-3, KBio1_000791, Provalis brand of tolfenamic acid, Tolfenamic acid [BAN:INN:JAN], Tolfenamic acid [INN:BAN:JAN]

Molecular Formula: C14H12ClNO2Molecular Weight: 261.703580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QDNMBJXNLJFNHT-UHFFFAOYSA-N

• Tryptophol
IUPAC Name: 2-(1H-indol-3-yl)ethanol | CAS Registry Number: 526-55-6
Synonyms: Indole-3-ethanol, Indoleethanol, Indole ethanol, 3-Indolylethanol, 1H-Indole-3-ethanol, 3-Indoleethanol, 'Tryptophol', 3-(2-Hydroxyethyl)indole, 2-(3-Indolyl)ethanol, beta-Indol-3-ylethanol, (indol-3-yl)ethanol, Ethanol, 2-indol-3-yl-, 1H-Indolyl-3-ethanol, ETHANOL, 3-INDOLYL-, 2-(1H-Indol-3-yl)ethanol, 2-(indol-3-yl)ethanol, Maybridge1_002422, 3-(beta-Hydroxyethyl)indole, Indole-3-ethanol (8CI), .beta.-(3-Indole)ethanol

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MBBOMCVGYCRMEA-UHFFFAOYSA-N

• 2,3,3-Trimethyl-3H-indole
IUPAC Name: 2,3,3-trimethylindole | CAS Registry Number: 1640-39-7
Synonyms: 2,3,3-Trimethylindolenine, 2,3,3-TRIMETHYL-3H-INDOLE, 3H-Indole, 2,3,3-trimethyl-, CCRIS 6607, T76805_ALDRICH, EINECS 216-685-6, NSC 65633, BB_SC-4660, NSC65633, ZINC03860805, AI3-51456, LS-188246, TL80074169, T-6650

Molecular Formula: C11H13NMolecular Weight: 159.227620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FLHJIAFUWHPJRT-UHFFFAOYSA-N

• 2-Amino-4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidin-2-amine | CAS Registry Number: 56-05-3
Synonyms: 2-Amino-4,6-dichloropyrimidine, Py 11, 2-Pyrimidinamine, 4,6-dichloro-, CCRIS 7460, 4,6-Dichloro-2-pyrimidinamine, A48601_ALDRICH, 4,6-Dichloropyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dichloro-, 07686_FLUKA, EINECS 200-253-9, NSC 18698, AIDS020791, AIDS-020791, NSC18698, BRN 0118454, SBB003919, ZINC01081248, AI3-52142, LS-134474, Pyrimidine, 2-amino-4,6-dichloro- (8CI)

Molecular Formula: C4H3Cl2N3Molecular Weight: 163.992720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

• 2-Amino-5-Nitrothiazole
IUPAC Name: 5-nitro-1,3-thiazol-2-amine | CAS Registry Number: 121-66-4
Synonyms: Entramin, Enheptin, Enheptin-T, Amnizol soluble, Nitramin IDO, Aminonitrothiazole, Aminzol soluble, Enheptin premix, Enheptin T, Enheptyne, Nitromin ido, Enheptin (VAN), 2-AMINO-5-NITROTHIAZOLE, Aminonitrothiazolum, 2-Thiazolamine, 5-nitro-, Thiazole, 2-amino-5-nitro-, 5-Nitro-2-thiazolylamine, 5-Nitro-2-thiazolamine, 5-Nitro-2-aminothiazole, NSC4

Molecular Formula: C3H3N3O2SMolecular Weight: 145.139820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIHADVKEHAFNPG-UHFFFAOYSA-N

• 2-Chlorobenzothiazole
IUPAC Name: 2-chloro-1,3-benzothiazole | CAS Registry Number: 615-20-3
Synonyms: BENZOTHIAZOLE, 2-CHLORO-, USAF EK-2784, 2-Chloro-1,3-benzothiazole, 167576_ALDRICH, WLN: T56 BN DSJ CG, NSC 8442, EINECS 210-415-0, NSC8442, AIDS019691, AIDS-019691, BRN 0116316, ZINC00152274, AI3-63118, AC 17349, LS-40712, 4-27-00-01072 (Beilstein Handbook Reference), InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BSQLQMLFTHJVKS-UHFFFAOYSA-N

• 4-Bromopyridine Hcl
IUPAC Name: 4-bromopyridine hydrochloride | CAS Registry Number: 19524-06-2
Synonyms: 4-Bromopyridine hydrochloride, 4-Bromopyridinium chloride, 4-BROMOPYRIDINE HCl, B80429_ALDRICH, EINECS 243-128-4, SBB003600, B2747G5, TL80073592

Molecular Formula: C5H5BrClNMolecular Weight: 194.456900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MPZMVUQGXAOJIK-UHFFFAOYSA-N

• 8-Amino Quinoline
IUPAC Name: quinolin-8-amine | CAS Registry Number: 578-66-5
Synonyms: 8-Quinolinamine, 8-Quinolylamine, 8-AMINOQUINOLINE, Quinoline, 8-amino-, quinolin-8-ylamine, CCRIS 1683, 260789_ALDRICH, NSC 7933, EINECS 209-427-9, NSC7933, NC 066, AIDS020624, AIDS-020624, WR 6920, BRN 0114474, AS-232, ZINC00105176, SDCCGMLS-0065843.P001, LS-141301, TL80073502

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WREVVZMUNPAPOV-UHFFFAOYSA-N

• 2-Amino-5-Bromo Pyridine
IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 2-Amino-5-Chloro Benzothiazole
IUPAC Name: 5-chloro-1,3-benzothiazol-2-amine | CAS Registry Number: 20358-00-3
Synonyms: 2-Amino-5-chlorobenzothiazole, 2-Benzothiazolamine, 5-chloro-, 5-Chloro-benzothiazol-2-ylamine, NSC 56970, BENZOTHIAZOLE, 2-AMINO-5-CHLORO-, NSC56970, ZERO/008548, 5-chloro-1,3-benzothiazol-2-amine, ZINC01676766, 2-Benzothiazolamine, 5-chloro- (9CI), ASN 00466316, LS-40663

Molecular Formula: C7H5ClN2SMolecular Weight: 184.646000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AVVSRALHGMVQQW-UHFFFAOYSA-N

• 2-Amino-5-Nitro Benzothiazole
IUPAC Name: 5-nitro-1,3-benzothiazol-2-amine | CAS Registry Number: 73458-39-6
Synonyms: 5-nitro-1,3-benzothiazol-2-amine, 5-Nitro-benzothiazol-2-ylamine, 5-Nitrobenzothiazol-2-ylamine, 2-amino-5-nitrobenzothiazole, 5-nitrobenzo[d]thiazol-2-amine, AG-G-90584, ZINC00227029, AC1MBPYZ, 2-Amino-5-nitrobenzothizole, 2-Benzothiazolamine,5-nitro-, 5-nitrobenzothiazole-2-ylamine, CTK5D8048, MolPort-000-163-790, ALBB-005805, ANW-64134, STK500607, AKOS000108123, MCULE-3992805518, AK-36244, BR-36244

Molecular Formula: C7H5N3O2SMolecular Weight: 195.198500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FISVWAMPAATJLP-UHFFFAOYSA-N

• 2-Chloro-5-Methyl Thiazole
IUPAC Name: 2-chloro-5-methyl-1,3-thiazole | CAS Registry Number: 33342-65-3
Synonyms: 2-Chloro-5-methylthiazole, 2-chloro-5-methyl-1,3-thiazole, 2-Chloro-5-methyl-Thiazole, AG-F-12379, SureCN486561, 2-Chloro-5-methyl thiazole, 2-Chloro-5-methylthiazole;, Thiazole,2-chloro-5-methyl-, CTK4H0419, MolPort-005-933-020, BB_SC-8359, QC-43, ANW-48699, BBL011206, GEO-02871, STK933956, ZINC02507113, AKOS005663686, AB13892, MCULE-4868939891

Molecular Formula: C4H4ClNSMolecular Weight: 133.599260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RTEUDRWHKUPKJB-UHFFFAOYSA-N

• 2-Chloromethyl Pyridine
IUPAC Name: 2-(chloromethyl)pyridine | CAS Registry Number: 4377-33-7
Synonyms: 2-Chloromethylpyridine, 2-Picolyl chloride, 2-(Chloromethyl)pyridine, 2-CMP, Pyridine, 2-(chloromethyl)-, BB_SC-2985, NCGC00091692-02, C233, LS-194322, 6959-47-3

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NJWIMFZLESWFIM-UHFFFAOYSA-N

• 2,4-Dimethyl-5-Acetyl Thiazole
IUPAC Name: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone | CAS Registry Number: 38205-60-6
Synonyms: 2,4-dimethyl-5-acetylthiazole, 5-Acetyl-2,4-dimethylthiazole, W326704_ALDRICH, FEMA No. 3267, 298085_ALDRICH, EINECS 253-826-0, SBB006624, ZINC00159554, 2,4-Dimethyl-5-thiazoyl methyl ketone, 1-(2,4-Dimethyl-5-thiazolyl)ethanone, Ketone, 2,4-dimethyl-5-thiazolyl methyl, 1-(2,4-Dimethylthiazol-5-yl)ethan-1-one, Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BLQOKWQUTLNKON-UHFFFAOYSA-N

• 5-Amino Quinoline
IUPAC Name: quinolin-5-amine | CAS Registry Number: 611-34-7
Synonyms: 5-Quinolinamine, Quinoline, 5-amino-, 5-Quinolylamine, 5-AMINOQUINOLINE, 5-Quinolinamine (9CI), CCRIS 1680, WLN: T66 BNJ GZ, A79205_ALDRICH, EINECS 210-266-1, NSC 27982, AIDS167236, AIDS-167236, NSC27982, BRN 0114479, SBB010065, ZINC00404292, TL806439, LS-141299, 5-22-10-00297 (Beilstein Handbook Reference), InChI=1/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMIAFAKRAAMSGX-UHFFFAOYSA-N


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