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 Ethyl 5-methyl-1-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxylate Suppliers > APAC Pharmaceutical, LLC

APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Address: 6851 Oak Hall Lane, Suite 101, Columbia, Maryland 21045, USA
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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• 2,6-Difluorobenzaldehyde
IUPAC Name: 2,6-difluorobenzaldehyde | CAS Registry Number: 437-81-0
Synonyms: 265152_ALDRICH, JRD-0120, SBB006685, ZINC02539337, TL806242

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOWRUJSGHKNOKN-UHFFFAOYSA-N

• 3-Methoxy-4,5-Methylenedioxybenzaldehyde
IUPAC Name: 7-methoxy-1,3-benzodioxole-5-carbaldehyde | CAS Registry Number: 5780-07-4
Synonyms: Myristic aldehyde, Myristicin aldehyde, ZINC02146907, CID22016, ZERO/009383, EINECS 227-304-8, 3-Methoxy-4,5-methylenedioxybenzaldehyde, 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-, 7-Methoxy-1,3-benzodioxole-5-carbaldehyde, AI3-24290, 7-Methoxybenzo-1,3-dioxole-5-carboxaldehyde, 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LOFRBHZYZCIOJO-UHFFFAOYSA-N

• 3-Bromobenzanthrone
IUPAC Name: 3-bromobenzo[a]phenalen-7-one | CAS Registry Number: 81-96-9
Synonyms: 3-Brombenzanthrone, Benzanthrone, 3-bromo-, 7-Bromomesobenzanthrone, 3-Bromobenz(d,e)anthrone, 3-Bromobenz[d,e]anthrone, 3-Bromobenz(de)anthracen-7-one, EINECS 201-390-7, CID6696, 7H-Benz[de]anthracen-7-one, 3-bromo-, NSC 13976, 3-Bromo-7H-benz(de)anthracen-7-one, BB_SC-4389, NSC13976, BRN 1975512, STK801556, ZINC03875547, 3-Bromo-7H-benz[de]anthracen-7-one, 3-Bromo-7H-benzo[de]anthracen-7-one, WLN: L C6666 1A Q IVJ OE, LS-27946

Molecular Formula: C17H9BrOMolecular Weight: 309.156760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WVECFEIAZAKUNF-UHFFFAOYSA-N

• 2,3,4-Trifluorobromobenzene
IUPAC Name: 1-bromo-2,3,4-trifluorobenzene | CAS Registry Number: 176317-02-5
Synonyms: Ambap4695, 1-Bromo-2,3,4-trifluorobenzene, JRD-0416, TL8001401, InChI=1/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MUUAQFJJUGVBGB-UHFFFAOYSA-N

• 2,3-Dichlorobenzaldehyde
IUPAC Name: 2,3-dichlorobenzaldehyde | CAS Registry Number: 6334-18-5
Synonyms: Benzaldehyde, dichloro-, Benzaldehyde, 2,3-dichloro-, DICHLOROBENZALDEHYDE, 254835_ALDRICH, 35248_FLUKA, NSC28450, EINECS 228-711-3, EINECS 250-492-8, NSC 28450, SBB003792, ZINC02539302, AK-968/41169414, 31155-09-6

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LLMLNAVBOAMOEE-UHFFFAOYSA-N

• 2,4-Dinitro-6-Bromoaniline
IUPAC Name: 2-bromo-4,6-dinitroaniline | CAS Registry Number: 1817-73-8
Synonyms: Bromo DNA, 2-BROMO-4,6-DINITROANILINE, 2,4-Dinitro-6-bromoaniline, 6-Bromo-2,4-dinitroaniline, Aniline, 2-bromo-4,6-dinitro-, Benzenamine, 2-bromo-4,6-dinitro-, CCRIS 820, 2-Bromo-4,6-dinitroaminobenzene, 2,4-Dinitro-6-bromanilin, Aniline, 2,4-dinitro-6-bromo-, WLN: WNR BZ CE ENW, HSDB 5453, MLS002152870, 113964_ALDRICH, NCI-C60844, 2,4-Dinitro-6-bromanilin (czech), EINECS 217-329-2, 2,4-Dinitro-6-bromoanilin [Czech], Benzenamide, 2-bromo-4,6-dinitro-, NSC 16572

Molecular Formula: C6H4BrN3O4Molecular Weight: 262.017660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KWMDHCLJYMVBNS-UHFFFAOYSA-N

• 2,6-Dimethyl-4-Heptanone
IUPAC Name: 2,6-dimethylheptan-4-one | CAS Registry Number: 108-83-8
Synonyms: Isovalerone, Isobutyl ketone, Valerone, Diisobutylketone, DIISOBUTYL KETONE, Diisobutylketon, DIBK, s-Diisopropylacetone, Diisobutilchetone, Di-isobutylcetone, 4-Heptanone, 2,6-dimethyl-, C9-Ketones, 2,6-Dimethyl-4-heptanone, 2,6-Dimethylheptan-4-one, sym-Diisopropylacetone, 2,6-Dimethylheptanone, sec-Diisopropyl acetone, Caswell No. 355B, Ketones, C9-branched, Di-isobutylcetone [French]

Molecular Formula: C9H18OMolecular Weight: 142.238620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PTTPXKJBFFKCEK-UHFFFAOYSA-N

• 2-Methyl-3-Aminobenzoic Acid
IUPAC Name: 3-amino-2-methylbenzoate | CAS Registry Number: 52130-17-3
Synonyms: 2-methyl-3-aminobenzoic acid, TPC-I004, ZINC00389566, CID6950343

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-M

• 2-Methylindole
IUPAC Name: 2-methyl-1H-indole | CAS Registry Number: 95-20-5
Synonyms: 2-METHYLINDOLE, 2-Methyl-1H-indole, Indole, 2-methyl-, 1H-Indole, 2-methyl-, M51407_ALDRICH, Indole, 2-methyl- (8CI), ARONIS020142, NSC 7514, EINECS 202-398-3, NSC7514, ZINC01088076, AI3-03945, LS-83246, LS-83247, ST040425, TL8005985, M-3895, InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H, 2MI

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

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

• 3,5-Dihydroxy-A-Bromoacetophenone
IUPAC Name: 2-bromo-1-(3,5-dihydroxyphenyl)ethanone | CAS Registry Number: 62932-92-7
Synonyms: 2-bromo-1-(3,5-dihydroxyphenyl)ethanone, 3',5'-Dihydroxyphenacyl bromide, 3,5-Dihydroxy-alfa-bromoacetophenone, ZINC02507126, zlchem 1042, AC1MBUOV, CTK5B6704, ZLD0508, AKOS015960607, AB13915, AG-G-32108, KB-168651, Ethanone,2-bromo-1-(3,5-dihydroxyphenyl)-, FT-0640857, 1-[3,5-bis(oxidanyl)phenyl]-2-bromanyl-ethanone, A834099, 2-BROMO-1-(3,5-DIHYDROXYPHENYL)ETHAN-1-ONE, ETHANONE, 2-BROMO-1-(3,5-DIHYDROXYPHENYL)-, 2-Bromo-1-(3,5-dihydroxyphenyl)ethanone;3,5-Dihydroxy-A'A|AfA-bromoacetophenone;3',5'-Dihydroxyphenacyl bromide;

Molecular Formula: C8H7BrO3Molecular Weight: 231.043380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUXKAYZEXYAYIT-UHFFFAOYSA-N

• 3-Hydroxy-2-Methylbenzoic Acid
IUPAC Name: 3-hydroxy-2-methylbenzoic acid | CAS Registry Number: 603-80-5
Synonyms: 3,2-Cresotic acid, NCIOpen2_000440, NSC73133, CID252023

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N

• 5-Cyanoindole
IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula: C9H6N2Molecular Weight: 142.157340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N

• 5-Nitroindole
IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 6-Ethoxy-2,2,4-Trimethyl-1,2-Dihydroquinoline
IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 91-53-2
Synonyms: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex, Antioxidant EC, Santoflex A, Santoflex AW, Stop-Scald, Dawe's nutrigard, Nix-Scald, Nocrack AW, Quinol ED, Aries Antox, Niflex D, Antage AW, Nocrac AW, Permanax 103, Alterungsschutzmittel EC, Ethoxyquin [ISO]

Molecular Formula: C14H19NOMolecular Weight: 217.306760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

• 4-Bromobenzocyclobutene
IUPAC Name: 4-bromobicyclo[4.2.0]octa-1(6),2,4-triene | CAS Registry Number: 1073-39-8
Synonyms: 3-bromobicyclo[4.2.0]octa-1,3,5-triene, 3-Bromo-bicyclo[4.2.0]octa-1,3,5-triene, SureCN13594, 4-BROMO-BENZOCYCLOBUTANE, MolPort-005-932-665, AC-157, ANW-50156, AKOS006290829, AK-54784, BR-54784, L661, AM20020174, Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo-

Molecular Formula: C8H7BrMolecular Weight: 183.045180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GMHHTGYHERDNLO-UHFFFAOYSA-N

• 5-Methylsalicylamide
IUPAC Name: 2-hydroxy-5-methylbenzamide | CAS Registry Number: 39506-61-1
Synonyms: 5-MethylSalicylamide, 2-hydroxy-5-methylbenzamide, 5-methyl salicylamide, 5-METHYLSALICYAMIDE, SureCN552239, 5-methyl-2-oxidanyl-benzamide, Benzamide,2-hydroxy-5-methyl-, Jsp006857, CTK4I1444, MolPort-004-363-487, ANW-60697, SBB070030, ZINC02566111, AKOS000207076, AG-F-39613, MB00262, BENZAMIDE, 2-HYDROXY-5-METHYL-, AK-82783, FT-0639547, V1242

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YNAXKCRTFJQYDT-UHFFFAOYSA-N

• 1,8-Dinitronaphthalene
IUPAC Name: 1,8-dinitronaphthalene | CAS Registry Number: 602-38-0
Synonyms: 1,8-DINITRONAPHTHALENE, Naphthalene, 1,8-dinitro-, CCRIS 2840, NSC 6323, CHEBI:50642, EINECS 210-016-1, NSC6323, BRN 1881846, ZINC01693402, AI3-08844, LS-1434, 4-05-00-01681 (Beilstein Handbook Reference), InChI=1/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6

Molecular Formula: C10H6N2O4Molecular Weight: 218.165640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AVCSMMMOCOTIHF-UHFFFAOYSA-N

• 9-Amino-1,2,3,4-Tetrahydro-Benzo[E][1,4]Diazepin-5-One
IUPAC Name: 9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one | CAS Registry Number: 328546-66-3
Synonyms: Aminobenzodiazapine, 9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one, AC1MCKF1, SureCN12750356, CTK4G9433, ZINC06732185, AKOS005254261, AG-F-10166, GL-0196, MCULE-2511814766, OR01685, AC-11854, 5H-1,4-Benzodiazepin-5-one,9-amino-1,2,3,4-tetrahydro-, 9-Amino-1,2,3,4-tetrahydro-1,4-benzo[e]diazepin-5-one, 9-Amino-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 9-AMINO-1,2,3,4-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-5-ONE;9-AMINO-1,2,3,4-TETRAHYDRO-5H-1,4-BENZODIAZEPIN-5-ONE;AMINOBENZODIAZAPINE;9-Amino-1,2,3,4-tetrahydro-1,4-benzo[e]diazepin-5-one

Molecular Formula: C9H11N3OMolecular Weight: 177.203140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: XVHVPDMTBPMQAQ-UHFFFAOYSA-N

• 6-Methylpyridazin-3(2h)-One
IUPAC Name: 3-methyl-1H-pyridazin-6-one | CAS Registry Number: 13327-27-0
Synonyms: 6Me3OxoPyridaz, 6-methyl-pyridazone-3, 6-Methyl-3-pyridazinone, 3-Hydroxy-6-methylpyridazine, 6-Methyl-2H-pyridazin-3-one, 6-Methylpyridazin-3(2H)-one, 3(2H)-Pyridazinone, 6-methyl-, 6-Methyl-3(2H)-pyridazinone, NSC17180, TPC-002, AIDS009155, AIDS-009155, CID83346, NSC10841, EINECS 236-367-0, ZINC08603112, STT-00319529, AC-907/25005370

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QZWIXLPWMGHDDD-UHFFFAOYSA-N

• 2-Bromo-3-Fluorotoluene
IUPAC Name: 2-bromo-1-fluoro-3-methylbenzene | CAS Registry Number: 59907-13-0
Synonyms: 2-Bromo-3-fluorotoluene, EINECS 261-982-6, CID108856, TL8003808

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FYCXRRYRNRDSRM-UHFFFAOYSA-N

• 3-amino-3-(furan-2-yl)-propionic Acid
IUPAC Name: 3-amino-3-furan-2-ylpropanoic acid | CAS Registry Number: 73456-99-2
Synonyms: Oprea1_170298, Oprea1_274685, ZERO/001588, ALBB-006074, 3-amino-3-(2-furyl)propanoic acid, 2-Furanpropionic acid, .beta.-amino-, 3-Amino-3-furan-2-yl-propionic acid, Propanoic acid, 3-amino-3-(2-furyl)-, BAS 00919057, EU-0099961

Molecular Formula: C7H9NO3Molecular Weight: 155.151260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YIKVKIOGYSPIMP-UHFFFAOYSA-N

• 4-(2,3-Epoxypropoxy)carbazole
IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula: C15H13NO2Molecular Weight: 239.269220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 5-Amino-2-fluorobenzonitrile
IUPAC Name: 5-amino-2-fluorobenzonitrile | CAS Registry Number: 53312-81-5
Synonyms: 3-Cyano-4-fluoroaniline, 2-fluoro-5-aminobenzonitrile, SBB064176, ZINC02565103, 3-cyano-4-fluoro aniline, 3-Cyano-4-fluoroaniline;, SureCN145984, AC1MC7O1, AC1Q51KZ, 3-amino-6-fluorobenzonitrile, KSC494A6L, 5-amino-2-fluoro benzonitrile, 5-Amino-2-fluoro-benzonitrile, 639877_ALDRICH, AC1Q521D, 3-CYANO-4-FLUOROANILIN, CTK3J4065, MolPort-000-151-066, 5-amino-2-fluorobenzenecarbonitrile, ACN-S003814

Molecular Formula: C7H5FN2Molecular Weight: 136.126403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HHTRAISBAAXRKZ-UHFFFAOYSA-N

• 6-(2-Hydroxyethylamino)-1,3-dimethyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(2-hydroxyethylamino)-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 5770-44-5
Synonyms: 6-[N-(2-Hydroxyethyl)amino]-1,3-dimethyl-2,4(1H,3H)-dione, AB-323/25048033, 6-(2-hydroxyethylamino)-1,3-dimethylpyrimidine-2,4-dione, ZINC02023479, AC1LVV5M, AC1Q3XPS, SureCN9205218, Oprea1_455638, CTK5A7307, MolPort-001-847-250, SBB092454, AKOS006273401, AC-4717, AG-G-03832, RP25687, HC210322, KB-198758, FT-0635846, A831565, I03-0354

Molecular Formula: C8H13N3O3Molecular Weight: 199.207120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XANWQZBIYRXADC-UHFFFAOYSA-N

• 3-Nitrophthalic anhydride
IUPAC Name: 4-nitro-2-benzofuran-1,3-dione | CAS Registry Number: 641-70-3
Synonyms: Phthalic anhydride, 3-nitro-, 1,3-Isobenzofurandione, 4-nitro-, Phthalic anhydride, 4-nitro-, 4-Nitrophthalic acid anhydride, 156884_ALDRICH, CCRIS 4684, 5-Nitro-1,3-isobenzofurandione, 4-NITROPHTHALIC ANHYDRIDE, 73780_FLUKA, NSC4134, 4-Nitro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, 5-nitro-, NSC 4134, NSC27006, EINECS 211-373-6, EINECS 226-776-2, NSC 26424, NSC 27006, Phthalic anhydride, 3-nitro- (8CI), BRN 0179682

Molecular Formula: C8H3NO5Molecular Weight: 193.113120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROFZMKDROVBLNY-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• 3-Indolylacetonitrile
IUPAC Name: 2-(1H-indol-3-yl)acetonitrile | CAS Registry Number: 771-51-7
Synonyms: Indole-3-acetonitrile, 3-Indoleacetonitrile, Indoleacetonitrile, Indolylacetonitril, Indolylacetonitrile, 3-(Cyanomethyl)indole, Indol-3-ylacetonitrile, 3-Indolacetonitrile, 1H-Indole-3-acetonitrile, Acetonitrile, 3-indolyl-, INDOLEYL-CPD, (indol-3-yl)acetonitrile, USAF CB-29, indole-3-ylacetonitrile, (Indole-3-yl)acetonitrile, 1H-Indol-3-ylacetonitrile, (3-Indolyl)acetonitrile, CCRIS 5807, Indole-3-acetonitrile (8CI), WLN: T56 BMJ D1CN

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N

• 2',4'-Difluoroacetophenone
IUPAC Name: 1-(2,4-difluorophenyl)ethanone | CAS Registry Number: 364-83-0
Synonyms: Acetophenone, 2',4'-difluoro-, 264253_ALDRICH, Ethanone, 1-(2,4-difluorophenyl)-, 36863_FLUKA, ZINC00157303, CID67770, EINECS 206-667-6, 1-(2,4-Difluorophenyl)ethan-1-one, TL806298, T5792202

Molecular Formula: C8H6F2OMolecular Weight: 156.129446 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QEWHNJPLPZOEKU-UHFFFAOYSA-N

• 2-Amino-4-Methoxy-6-Methyl-1,3,5-Triazine
IUPAC Name: 4-methoxy-6-methyl-1,3,5-triazin-2-amine | CAS Registry Number: 1668-54-8
Synonyms: Oprea1_823704, 522996_ALDRICH, EINECS 216-790-7, CV 399, ALBB-007467, s-Triazine, 2-amino-4-methoxy-6-methyl-, 2-Methyl-4-amino-6-methoxy-s-triazine, BRN 0608250, SBB004163, ZINC00193078, 4-Methoxy-6-methyl-1,3,5-triazin-2-amine, 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-, LS-155053, EU-0034780, 2-Amino-4-methoxy-6-methyl-1,3,5-triazine, 2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE, 4-methoxy-6-methyl-1,3,5-triazin-2-ylamine, 5-26-09-00404 (Beilstein Handbook Reference), AG-664/25040005

Molecular Formula: C5H8N4OMolecular Weight: 140.143220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NXFQWRWXEYTOTK-UHFFFAOYSA-N

• 4-bromo-1h-indole-6-carbonitrile
IUPAC Name: 4-bromo-1H-indole-6-carbonitrile | CAS Registry Number: 374633-29-1
Synonyms: 4-Bromo-6-cyanoindole, 4-Bromo-1H-indole-6-carbonitrile, SureCN994181, CTK4H8212, MolPort-005-932-982, 1H-Indole-6-carbonitrile,4-bromo-, ANW-57635, ZINC02384057, AKOS015960570, AB13577, AG-F-31644, AC-11492, AK-59573, QC-10529, 4-Bromo-1H-indole-6-carbonitrile;4-bromo-1H-indole-6-carbonitrile;1H-indole-6-carbonitrile, 4-bromo-;4-Bromo-1H-indole-6-carbonitrile;4-Bromo-6-cyanoindole;

Molecular Formula: C9H5BrN2Molecular Weight: 221.053400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LIXMZLHXLYDHRO-UHFFFAOYSA-N

• 2,4-Dinitroaniline
IUPAC Name: 2,4-dinitroaniline | CAS Registry Number: 97-02-9
Synonyms: 2,4-DINITROANILINE, Aniline, 2,4-dinitro-, 2,4-Dinitraniline, Benzenamine, 2,4-dinitro-, 2,4-Dinitroanilin, 2,4-Dinitroanilina, 2,4-Dinitrobenzenamine, 2,4-Dinitrophenylamine, 1-Amino-2,4-dinitrobenzene, WLN: WNR BZ ENW, 2,4-Dinitroanilin [German], 2,4-Dinitroanilina [Italian], CCRIS 2872, ghl.PD_Mitscher_leg0.930, HSDB 1142, D193011_ALDRICH, 45963_RIEDEL, NCI-C60753, NSC 8731, EINECS 202-553-5

Molecular Formula: C6H5N3O4Molecular Weight: 183.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LXQOQPGNCGEELI-UHFFFAOYSA-N

• 2,9-Diacetylguanine
IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide | CAS Registry Number: 3056-33-5
Synonyms: N2,9-Diacetylguanine, Ambap758, 377899_ALDRICH, EINECS 221-287-0, SBB009975, TL8002355, N-(9-Acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide

Molecular Formula: C9H9N5O3Molecular Weight: 235.199460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GILZZWCROUGLIS-UHFFFAOYSA-N

• 2-Amino-6-Bromo-4-Methoxyphenol
IUPAC Name: tert-butyl (3S)-3-phenylpiperazin-4-ium-1-carboxylate | CAS Registry Number: 206872-01-7
Synonyms: ZINC02513101, ZINC04293754, CID7173867

Molecular Formula: C15H23N2O2+Molecular Weight: 263.355320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HRRFJZULVYGVNJ-CYBMUJFWSA-O

• 2,4-Dimethyl-6-Tert butyl Phenol
IUPAC Name: 2-tert-butyl-4,6-dimethylphenol | CAS Registry Number: 1879-09-0
Synonyms: Topanol A, Prodox 340, 6-tert-Butyl-2,4-dimethylphenol, 6-tert-Butyl-2,4-xylenol, 2,4-Dimethyl-6-tert-butylphenol, 6-t-Butyl-2,4-xylenol, 2,4-Xylenol, 6-tert-butyl-, 2-tert-Butyl-4,6-dimethylphenol, 6-t-Butyl-2,4-dimethylphenol, NSC 8130, EINECS 217-533-1, NSC8130, CID15884, BRN 1941702, ZINC01586423, Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-, WLN: QR B1 D1 F1X1&1&1, SB 01223, LS-162625, 4-06-00-03442 (Beilstein Handbook Reference)

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OPLCSTZDXXUYDU-UHFFFAOYSA-N

• 5-Hydroxy Indole
IUPAC Name: 1H-indol-5-ol | CAS Registry Number: 1953-54-4
Synonyms: 5-Hydroxyindole, 1H-Indol-5-ol, INDOL-5-OL, 5-Hydroxy-1H-indole, Hydroxy-5 indole, 5-Indolol, Hydroxy-5 indole [French], CCRIS 4422, NCIOpen2_001272, WLN: T56 BMJ GQ, 1H-Indol-5-ol (9CI), H31859_ALDRICH, Hydroxy-5 indole [French], MLS000039632, 5-HI, EINECS 217-782-6, NSC 87503, NSC87503, BRN 0112349, NSC-87503

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N

• 6-Hydroxy-2,4,5-Triaminopyrimidine
IUPAC Name: 2,5,6-triamino-1H-pyrimidin-4-one | CAS Registry Number: 1004-75-7
Synonyms: ChemDiv1_000151, 2,4,5-Triamino-6-pyrimidinol, 2,5,6-Triamino-4-pyrimidinol, 2,5,6-Triamino-4-oxopyrimidine, 2,5,6-Triaminopyrimidin-4-ol, 2,4,5-Triamino-6-oxypyrimidine, 2,5,6-Triamino-4-pyrimidol, 6-Hydroxy-2,4,5-triaminopyrimidine, 2,4,5-Triaminopyrimidin-6(1H)-one, 4(1H)-Pyrimidinone, 2,5,6-triamino-, NSC 9313, 2,5,6-Triamino-4-pyrimidinone, EINECS 213-725-4, 2,4,5-Triamino-6-hydroxypyrimidine, NSC9313, AIDS019723, 2,5,6-Triamino-4(1H)-pyrimidinone, AIDS-019723, EINECS 254-393-0, ZINC01699914

Molecular Formula: C4H7N5OMolecular Weight: 141.131280 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SYEYEGBZVSWYPK-UHFFFAOYSA-N

• (25S)-5beta-Spirostan-3beta-ol
Synonyms: Sarsasapogenin, Parigenin, Sarsapogenine, CHEBI:15578, NSC 1615, EINECS 204-776-3, (3beta,5beta,25S)-spirostan-3-ol, LS-193826, 5beta-Spirostan-3beta-ol, (25S)- (8CI), C03963, Spirostan-3-ol, (3beta,5beta,25S)- (9CI)

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-N

• 6-Trifluoromethylindole
IUPAC Name: 6-(trifluoromethyl)-1H-indole | CAS Registry Number: 13544-43-9
Synonyms: 6-(Trifluoromethyl)indole, 6-(trifluoromethyl)-1H-indole, 6-Trifluoromethyl-1H-indole, 1H-Indole, 6-(trifluoromethyl)-, ST50408288, ZINC02564310, PubChem1713, AC1MCRRZ, ACMC-1BSCM, 6-Trifluoromethylindole,, SureCN45243, KSC910G4N, RARECHEM AH BS 0129, CTK8B0346, MolPort-000-006-386, ACT02560, ANW-19845, RW1246, SBB090260, WTI-10687

Molecular Formula: C9H6F3NMolecular Weight: 185.145850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BPYBYPREOVLFED-UHFFFAOYSA-N

• 5-Fluoro-2-methoxy-3H-pyrimidin-4-one
IUPAC Name: 5-fluoro-2-methoxy-1H-pyrimidin-6-one | CAS Registry Number: 1480-96-2
Synonyms: Ambap6990, 559911_ALDRICH, NSC527067, ZINC02507123, 5-Fluoro-2-methoxy-4(1H)pyrimidinone

Molecular Formula: C5H5FN2O2Molecular Weight: 144.103803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VMIFBCPINLZNNI-UHFFFAOYSA-N

• 5-Nitroso-2,4,6-triaminopyrimidine
IUPAC Name: 5-nitrosopyrimidine-2,4,6-triamine | CAS Registry Number: 1006-23-1
Synonyms: 2,4,6-Triamino-5-nitrosopyrimidine, CCRIS 4388, NSC677554, AIDS023042, 5-Nitro-2,4,6-triaminopyrimidine, AIDS-023042, NSC67309, 2,4,6-Pyrimidinetriamine, 5-nitroso-, EINECS 213-742-7, 5-Nitroso-2,4,6-pyrimidinetriamine, NSC 67309, ZINC03861400, Pyrimidine, 2,4,6-triamino-5-nitroso-, 5-Nitroso-2,4,6-Triamino pyrimidine, NSC 677554, 2,4,6-TRIAMINO-5-NITROPYRIMIDINE, AI3-61621, ST5308348, TL8000062

Molecular Formula: C4H6N6OMolecular Weight: 154.130040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: XLQQJSWJHHKLOK-UHFFFAOYSA-N

• 2-Propylimidazole
IUPAC Name: 2-propyl-1H-imidazole | CAS Registry Number: 50995-95-4
Synonyms: 2-Propyl-1H-imidazole, 1H-Imidazole, 2-propyl-, EINECS 256-902-1, CID162617

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MKBBSFGKFMQPPC-UHFFFAOYSA-N

• 3,4-dihydroxy ethyl benzoate
IUPAC Name: ethyl 3,4-dihydroxybenzoate | CAS Registry Number: 3943-89-3
Synonyms: Ethyl protocatechuate, Ethyl 3,4-dihydroxybenzoate, Ambap72, 3,4-DHBEEOP, E24859_ALDRICH, Protocatechuic acid ethyl ester, Protocatechuic acid, ethyl ester, AIDS018069, AIDS108197, AIDS-018069, AIDS-108197, CID77547, NSC86130, EINECS 223-529-0, NSC 86130, NSC619681, ZINC00403548, 3,4-Dihydroxybenzoic acid, ethyl ester, Benzoic acid, 3,4-dihydroxy-, ethyl ester, 3,4-Dihydroxybenzoic acid, Ethyl ester, homopolymer

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N

• 3-Cyclopentyl Propionyl Chloride
IUPAC Name: 3-cyclopentylpropanoyl chloride | CAS Registry Number: 104-97-2
Synonyms: Cyclopentylpropionyl chloride, 3-Cyclopentylpropionyl chloride, Cyclopentanepropionyl chloride, 268593_ALDRICH, CID66039, EINECS 203-257-9, ZINC02015939, ST5214050

Molecular Formula: C8H13ClOMolecular Weight: 160.641220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SZQVEGOXJYTLLB-UHFFFAOYSA-N

• 2-Pipecoline
IUPAC Name: 2-methylpiperidine | CAS Registry Number: 109-05-7
Synonyms: Pipicoline, alpha-Pipecoline, 2-METHYLPIPERIDINE, alpha-Pipecolin, .alpha.-Pipecolin, alpha-Methylpiperidine, Piperidine, 2-methyl-, D-alpha-Pipecoline, .alpha.-Pipecoline, PIPECOLINE, ALPHA, 2-Pipecoline (8CI), .alpha.-Methylpiperidine, WLN: T6MTJ B1, M72803_ALDRICH, (S)-()-2-Methylpiperidine, W424401_ALDRICH, 522902_ALDRICH, NSC462, EINECS 203-642-1, NSC 31047

Molecular Formula: C6H13NMolecular Weight: 99.174120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NNWUEBIEOFQMSS-UHFFFAOYSA-N

• 4-Amino-3-methoxyazobene-3'-sulfonic acid sodium salt
IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-methyl-2-phenylbenzotriazol-5-yl)prop-2-enamide | CAS Registry Number: 6300-07-8
Synonyms: STOCK3S-55001, MolPort-000-810-938, STK083932, ZINC01185643, CID1348401, 3-(5-bromo-2-methoxy-phenyl)-N-(6-methyl-2-phenyl-benzotriazol-5-yl)prop-2-enamide, (2E)-3-(5-bromo-2-methoxyphenyl)-N-(6-methyl-2-phenyl-2H-benzotriazol-5-yl)prop-2-enamide

Molecular Formula: C23H19BrN4O2Molecular Weight: 463.326560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PWJJPLSGNXAVBZ-DHZHZOJOSA-N

• 2,4,6-Trimethylaniline
IUPAC Name: 2,4,6-trimethylaniline | CAS Registry Number: 88-05-1
Synonyms: Mesidine, Aminomesitylene, Mesitylamine, Mesidin, 2-Aminomesitylene, Mesidin [Czech], Mesitylene, 2-amino-, Aniline, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLANILINE, Benzenamine, 2,4,6-trimethyl-, 2,4,6-Trimethylbenzenamine, CCRIS 2871, HSDB 2694, 2-Amino-1,3,5-trimethylbenzene, 132179_ALDRICH, 92290_FLUKA, EINECS 201-794-3, ZINC01555241, 1-Amino-2,4,6-trimethylbenzen [Czech], LS-20005

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N

• 2,4-Thiazolidine Dione
IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula: C3H3NO2SMolecular Weight: 117.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2,6-Difluoroaniline
IUPAC Name: 2,6-difluoroaniline | CAS Registry Number: 5509-65-9
Synonyms: Benzenamine, 2,6-difluoro-, 196614_ALDRICH, BB_SC-4594, EINECS 226-853-0, NSC127234, ZINC00159273, D155, TL8003601, InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N

• 2-Acetyl Furan
IUPAC Name: 1-furan-2-ylethanone | CAS Registry Number: 1192-62-7
Synonyms: Acetylfuran, 2-Acetylfuran, 2-Furylethanone, Ketone, 2-furyl methyl, 2-Furyl methyl ketone, 1-(2-Furyl)ethanone, Furan, 2-acetyl-, Methyl 2-furyl ketone, Ethanone, 1-(2-furanyl)-, FEMA No. 3163, CCRIS 3161, 1-(2-FURANYL)ETHANONE, A16254_ALDRICH, 2-Furyl methyl ketone (natural), W316318_ALDRICH, W316350_ALDRICH, NSC 4665, 48200_FLUKA, EINECS 214-757-1, NSC4665

Molecular Formula: C6H6O2Molecular Weight: 110.110640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

• 2-Amino-6-Thiocyano Benzothiazole
IUPAC Name: (2-amino-1,3-benzothiazol-6-yl) thiocyanate | CAS Registry Number: 7170-77-6
Synonyms: 2-Amino-6-thiocyanatobenzothiazole, 546887_ALDRICH, NSC327380, CID81600, EINECS 230-524-7, 2-Amino-6-benzothiazolyl thiocyanate, 6-Thiocyanato-benzothiazol-2-ylamine, ZINC00341548, NSC 327380, BAS 00328997, ST5223379, Thiocyanic acid, 2-amino-6-benzothiazolyl ester, 196393-88-1

Molecular Formula: C8H5N3S2Molecular Weight: 207.275400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FVNSRFMQXKMHTQ-UHFFFAOYSA-N


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