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Sinova Inc.

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Web: http://www.sinovainc.com
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Profile: Sinova, Inc. specializes in the manufacturing of indoles and azaindoles. Our products include indazoles, pyridines, isatins, 2-oxindoles and natural products. We also provide services for custom synthesis of building blocks, parallel synthesis for diversity and focused libraries, lead optimization & structure activity relationship profiling & synthetic feasibility studies.

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• (2-Methoxy-6-nitrophenyl)acetonitrile
IUPAC Name: 2-(2-methoxy-6-nitrophenyl)acetonitrile | CAS Registry Number: 20876-27-1
Synonyms: 2-(2-methoxy-6-nitrophenyl)acetonitrile, AC1LBBT1, SureCN942641, CTK7C9648, ZINC14982985, AKOS006284425, AG-K-97595, PB22068, (2-Methoxy-6-nitrophenyl)-acetonitrile, (2-Methoxy-6-notrophenyl)-acetonitrile, AK119708, KB-01195, Phenylmethyl cyanide, 2-methoxy-6-nitro-, QC-10573, 2-CYANOMETHYL-3-METHOXYNITROBENZENE

Molecular Formula: C9H8N2O3Molecular Weight: 192.171420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ULYNKRWNPIYQCQ-UHFFFAOYSA-N

• (R)-1-Benzyl-3-methylpiperazine
IUPAC Name: (3R)-1-benzyl-3-methylpiperazine | CAS Registry Number: 132871-11-5
Synonyms: (3R)-1-benzyl-3-methylpiperazine, (R)-2-Methyl-4-benzylpiperazine, 1-Benzyl-3(R)-methyl-piperazine, AC1OCM0X, R-4BNMP, SureCN1471041, 1-Benzyl-3(r)-methylpiperazine, CTK4B8201, 1-Benzyl-3(S)-methyl-piperazine, MolPort-000-002-251, AB3084, ANW-72024, AKOS016015883, AB14251, AG-D-66894, (R)-4-BENZYL-2-METHYLPIPERAZINE, 4-BENZYL-2-(R)-METHYLPIPERAZINE, AC-17324, AK-57951, KB-11266

Molecular Formula: C12H18N2Molecular Weight: 190.284720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QOFUDSPYJDXBOF-LLVKDONJSA-N

• 2-Chloro-4-(hydroxymethyl)pyridine
IUPAC Name: (2-chloropyridin-4-yl)methanol | CAS Registry Number: 100704-10-7
Synonyms: MLS000582507, (2-chloropyridin-4-yl)methanol, ZINC03883974, CID7062237, SMR000206493, 4Y-0721

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UDDVPFLXGOBESH-UHFFFAOYSA-N

• 2-Chloro-4-Pyridineamine
IUPAC Name: 2-chloropyridin-4-amine | CAS Registry Number: 14432-12-3
Synonyms: 4-Amino-2-chloropyridine, 2-Chloropyridin-4-amine, 4-Pyridinamine, 2-chloro-, 2-Chloro-4-aminopyridine, 2-Chloro-pyridin-4-ylamine, TPC-PY030, 522937_ALDRICH, EINECS 238-403-0, SBB004235, FS000027, TL806262

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BLBDTBCGPHPIJK-UHFFFAOYSA-N

• 2-Chloro-6-methyl-3-nitropyridine
IUPAC Name: 6-chloro-2-methyl-3-nitropyridine | CAS Registry Number: 22280-60-0
Synonyms: NCIOpen2_000630, TPC-PY106, 6-Chloro-3-nitro-2-picoline, 6-chloro-3-nitro-2-methylpyridine, 6-Chloro-2-methyl-3-nitropyridine, NSC75592, SBB003830, ZINC00330879, SL-02709, AC-907/25004504

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GHSRMSJVYMITDX-UHFFFAOYSA-N

• 2-Chloro-4-fluorobenzothiazole
IUPAC Name: 2-chloro-4-fluoro-1,3-benzothiazole | CAS Registry Number: 182344-56-5
Synonyms: 2-chloro-4-fluoro-1,3-benzothiazole, F1910-0007, ZINC02455693, PubChem21813, AC1M1H9T, SureCN2634141, 2-Chloro-4-fluoro-benzothiazole, CTK4D8165, Benzothiazole,2-chloro-4-fluoro-, MolPort-003-085-023, 2-chloro-4-fluorobenzo[d]thiazole, ANW-51763, AKOS005208049, AG-E-32215, MCULE-9090530011, 2-Chloro-4-fluoro-1,3-benzothiazole;, AK-23621, AM807323, BR-23621, KB-22279

Molecular Formula: C7H3ClFNSMolecular Weight: 187.621823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VCSYBEOXGIHVTR-UHFFFAOYSA-N

• 3-Hydroxymethyl-3-methyloxetane
IUPAC Name: (3-methyloxetan-3-yl)methanol | CAS Registry Number: 3143-02-0
Synonyms: 3-Methyl-3-oxetanemethanol, (3-Methyl-3-oxetanyl)methanol, 277681_ALDRICH, 3-Hydroxymethyl-3-methyl-oxetane, SBB009078, ZINC00391225

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NLQMSBJFLQPLIJ-UHFFFAOYSA-N

• 3-Methyl-2-Thiophenecarbonyl Chloride
IUPAC Name: 3-methylthiophene-2-carbonyl chloride | CAS Registry Number: 61341-26-2
Synonyms: 654809_ALDRICH, ZINC02504559, 3-Methylthiophene-2-carbonyl chloride, CID2737605, SL-00078

Molecular Formula: C6H5ClOSMolecular Weight: 160.621300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AJSVPEVDFBYRCH-UHFFFAOYSA-N

• 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide
IUPAC Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanol | CAS Registry Number: 26475-62-7
Synonyms: 4-(2-Hydroxyethyl)thiomorpholine 1,1-Dioxide, 4-(2-hydroxy ethyl) thiomorpholine 1,1 dioxide, PubChem17442, ACMC-209grp, SureCN898008, CTK4F7958, 2-(1,1-Dioxothiomorpholino)ethanol, 4-Thiomorpholineethanol,1,1-dioxide, ANW-26003, 1,1-Dixoide-4-thiomorpholine ethanol, AKOS009605672, AG-E-83371, AK-49626, KB-186358, 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanol, FT-0638610, H1140, N-(2-Hydroxyethyl) thiomorpholine 1,1-dioxide, A818463, 2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]ethanol

Molecular Formula: C6H13NO3SMolecular Weight: 179.237320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GILLKIJFJOBJCD-UHFFFAOYSA-N

• 2-Pyridinecarbonitrile, 5-nitro-
IUPAC Name: 5-nitropyridine-2-carbonitrile | CAS Registry Number: 100367-55-3
Synonyms: 5-Nitropicolinonitrile, 2-Cyano-5-nitropyridine, 5-nitropyridine-2-carbonitrile, 6-Cyano-3-nitropyridine, 5-nitro-2-pyridinecarbonitrile, 2-Pyridinecarbonitrile,5-nitro-, AG-D-05271, PubChem6230, ACMC-209zwa, SureCN4016419, CTK3J8850, MolPort-003-824-258, ACT07045, ANW-50792, SBB065244, ZINC14982543, AKOS006285810, AC-6784, PB15869, RP21253

Molecular Formula: C6H3N3O2Molecular Weight: 149.106920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YZDHDHMJKCKESU-UHFFFAOYSA-N

• 2,4-Dibromopyridine
IUPAC Name: 2,4-dibromopyridine | CAS Registry Number: 58530-53-3
Synonyms: 2,4-dibromopyridine, 2,4-Dibromo-pyridine, ZERO/006254, ZINC00330775, FS001026, AC-907/25004342

Molecular Formula: C5H3Br2NMolecular Weight: 236.892020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PCMMSLVJMKQWMQ-UHFFFAOYSA-N

• 2-Chloro-6-(trifluoromethoxy)-benzothiazole
IUPAC Name: 2-chloro-6-(trifluoromethoxy)-1,3-benzothiazole | CAS Registry Number: 133840-96-7
Synonyms: 2-chloro-6-(trifluoromethoxy)benzothiazole, 2-Chloro-6-(trifluoromethoxy)Benzo[d]thiazole, F2158-0802, 2-chloro-6-trifluoromethoxylbenzothiazole, PubChem21739, ACMC-1C0WD, SureCN1748078, CTK8B0210, ACT07781, ANW-19590, ZINC38478257, AKOS015888694, AM62622, QC-8151, RP29039, AK-25378, BR-25378, KB-22634, 2-Chloro-6-(trifluoromethoxy)benzothiazole,, FT-0649698

Molecular Formula: C8H3ClF3NOSMolecular Weight: 253.628730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PPGSYGPSOLZOOU-UHFFFAOYSA-N

• 6-Amino-3-nitro-2-picoline
IUPAC Name: 6-methyl-5-nitropyridin-2-amine | CAS Registry Number: 22280-62-2
Synonyms: NCIOpen2_000133, 6-Methyl-5-nitro-2-pyridinamine, NSC63855, 2-Amino-6-methyl-5-nitropyridine, 6-amino-3-nitro-2-methylpyridine, CID247976, SBB004047, BBV-00026440, TL8001859, AN-228/40262599

Molecular Formula: C6H7N3O2Molecular Weight: 153.138680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BGMZTBKXOFFTBJ-UHFFFAOYSA-N

• 2-Bromo-6-Fluorobenzothiazole
IUPAC Name: 2-bromo-6-fluoro-1,3-benzothiazole | CAS Registry Number: 152937-04-7
Synonyms: 2-Bromo-6-fluorobenzothiazole, 2-bromo-6-fluorobenzo[d]thiazole, 2-bromo-6-fluoro-1,3-benzothiazole, AG-E-00400, ACMC-1C8HE, AGN-PC-00A6WE, SureCN1639031, 667358_ALDRICH, AC1Q4N07, 2-Bromo-6-fluorobenzothiazole;, CTK4C7632, Benzothiazole,2-bromo-6-fluoro-, MolPort-005-935-155, Benzothiazole, 2-bromo-6-fluoro-, ANW-21419, ZINC11920207, AKOS005362515, MCULE-2223991287, RP28000, AC-15096

Molecular Formula: C7H3BrFNSMolecular Weight: 232.072823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GIANOUBNTGQAID-UHFFFAOYSA-N

• 2-Amino-6-fluorobenzothiazole
IUPAC Name: 6-fluoro-1,3-benzothiazol-2-amine | CAS Registry Number: 348-40-3
Synonyms: Maybridge1_006546, Oprea1_016706, Oprea1_694425, MLS001005445, 324213_ALDRICH, 2-Benzothiazolamine, 6-fluoro-, NSC266095, ZINC00035872, SDCCGMLS-0066208.P001, SMR000383987, TL8002587, A2651/0112961, InChI=1/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10

Molecular Formula: C7H5FN2SMolecular Weight: 168.191403 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CJLUXPZQUXVJNF-UHFFFAOYSA-N

• 2-Benzothiazolamine, 6-Chloro-4-(trifluoromethyl)-
IUPAC Name: 6-chloro-4-(trifluoromethyl)-1,3-benzothiazol-2-amine | CAS Registry Number: 155538-41-3
Synonyms: 2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole, 6-Chloro-4-(trifluoromethyl)benzo[d]thiazol-2-amine, ACMC-209dcg, CTK4C8724, MolPort-005-984-596, ANW-21566, ZINC22121870, AKOS015854716, AG-E-03870, AK-90765, BD229439, KB-20183, A-4008, 6-Chloro-4-trifluoromethyl-benzothiazol-2-ylamine, I01-11814

Molecular Formula: C8H4ClF3N2SMolecular Weight: 252.643970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DHURNZDLDZXODT-UHFFFAOYSA-N

• 2-Amino-6-chloro-3-nitropyridine
IUPAC Name: 6-chloro-3-nitropyridin-2-amine | CAS Registry Number: 27048-04-0
Synonyms: EINECS 248-188-5, BB_SC-2995, 6-Chloro-3-nitropyridin-2-ylamine, CID2724035, TL8002178

Molecular Formula: C5H4ClN3O2Molecular Weight: 173.557160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WERABQRUGJIMKQ-UHFFFAOYSA-N

• 2-Bromo-6-(trifluoromethyl)benzothiazole
IUPAC Name: 2-bromo-6-(trifluoromethyl)-1,3-benzothiazole | CAS Registry Number: 898748-23-7
Synonyms: 2-bromo-6-(trifluoromethyl)benzo[d]thiazole, SureCN3075842, CTK5G3650, MolPort-009-199-907, ANW-52747, ZINC11920203, AKOS015898614, AG-L-19864, AK-50908, KB-229065, AM20041354, A15892, I09-1706

Molecular Formula: C8H3BrF3NSMolecular Weight: 282.080330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RFNZUTHSKMWKOR-UHFFFAOYSA-N

• 3-Iodo-5-methylpyridin-2-amine
IUPAC Name: 3-iodo-5-methylpyridin-2-amine | CAS Registry Number: 211308-79-1
Synonyms: 2-Amino-3-iodo-5-methylpyridine, 3-Iodo-5-methyl-pyridin-2-ylamine, ACMC-20ao5b, AC1Q2OGP, AGN-PC-00OZ6N, SureCN1311290, CTK4E5935, MolPort-002-054-756, 2-Pyridinamine,3-iodo-5-methyl-, 2-Pyridinamine, 3-iodo-5-methyl-, ZINC29786633, AKOS015853936, AG-E-55035, AK135401, KB-227547, A-6387

Molecular Formula: C6H7IN2Molecular Weight: 234.037650 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GSRKHYYLAZKHSA-UHFFFAOYSA-N

• 2-Isopropyl-4-Hydroxyanisole
IUPAC Name: 4-methoxy-3-propan-2-ylphenol | CAS Registry Number: 13523-62-1
Synonyms: 2-Isopropyl-4-hydroxy anisole, PHENOL, 4-METHOXY-3-(1-METHYLETHYL)-, SureCN2041131, 3-Isopropyl-4-methoxy-phenol, AGN-PC-006Z6F, CTK4B9722, 3-ISOPROPYL-4-METHOXYPHENOL, ZINC02507090, AKOS006279447, AG-D-72095, MB02677, Phenol,4-methoxy-3-(1-methylethyl)-, AC-10353, 4-METHOXY-3-(PROPAN-2-YL)PHENOL, 4-METHOXY-3-(1-METHYLETHYL)-PHENOL, Phenol,3-isopropyl-4-methoxy- (6CI,7CI,8CI); 3-Isopropyl-4-methoxyphenol

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CNTLRGJEUYZYKC-UHFFFAOYSA-N

• 3-Bromo-5-fluoroanisole
IUPAC Name: 1-bromo-3-fluoro-5-methoxybenzene | CAS Registry Number: 29578-39-0
Synonyms: 1-Bromo-3-fluoro-5-methoxybenzene, 3-Fluoro-5-bromoanisole, 3-Bromo-5-fluoro-1-methoxybenzene, 5-BROMO-3-FLUOROANISOLE, PubChem4128, ACMC-209h9u, SureCN505277, KSC201Q6J, CTK1A1864, MolPort-001-772-762, ACN-S004479, ACT11632, ANW-26656, CL8603, SBB093397, ZINC14628931, AKOS005259680, AC-3760, AG-C-31588, AS01365

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XVNQVSGOIUYOPB-UHFFFAOYSA-N

• 2-Amino-5-Methoxypyrimidine
IUPAC Name: 5-methoxypyrimidin-2-amine | CAS Registry Number: 13418-77-4
Synonyms: 2-Amino-5-methoxypyrimidine, 5-methoxypyrimidin-2-amine, 5-Methoxy-2-pyrimidinamine, 2-Pyrimidinamine, 5-methoxy-, ST50983831, ZINC03123156, PubChem20801, Enamine_000447, AC1M4CPH, SureCN504264, 2-Pyrimidinamine,5-methoxy-, KSC519A2H, 2-Amino-5-methoxy-pyrimidine, 5-methoxypyrimidine-2-ylamine, CTK4B9023, MolPort-004-759-342, AM725, HMS1395E07, ACT01436, ANW-47514

Molecular Formula: C5H7N3OMolecular Weight: 125.128580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KAHHAPNRIQLSFT-UHFFFAOYSA-N

• 1,2-Dibromo-2,4-dicyanobutane
IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile | CAS Registry Number: 35691-65-7
Synonyms: Bromothalonil, Tektamer, Metacide 38, Tektamer 38, Tektamer 38AD, BBMG, MDBGN, Tuopai DM 01, Caswell No. 114G, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile, HSDB 7313, 2-Bromo-2-bromoethylglutaronitrile, EINECS 252-681-0, 2-Bromo-2-(bromomethyl)glutaronitrile, EPA Pesticide Chemical Code 111001, Glutaronitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) glutaronitrile, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) pentanedinitrile

Molecular Formula: C6H6Br2N2Molecular Weight: 265.933240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

• 2-Isopropyl-6-Nitrophenol
IUPAC Name: 2-nitro-6-propan-2-ylphenol | CAS Registry Number: 7545-71-3
Synonyms: 2-isopropyl-6-nitrophenol, Phenol, 2-(1-methylethyl)-6-nitro, 2-nitro-6-propan-2-ylphenol, AG-H-00717, AC1Q1OTJ, AC1Q1ZZY, SureCN102131, AC1LB48V, 6-(methylethyl)-2-nitrophenol, 2-nitro-6-propan-2-yl-phenol, CTK5E1584, AR-1E2951, SBB089776, ZINC20286847, Phenol,2-(1-methylethyl)-6-nitro-, OR25535, KB-173346, FT-0612714, A838685, Phenol,2-isopropyl-6-nitro- (7CI,8CI); 2-Isopropyl-6-nitrophenol;6-Isopropyl-2-nitrophenol

Molecular Formula: C9H11NO3Molecular Weight: 181.188540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RRFSVDKJKYCCEK-UHFFFAOYSA-N

• 6-Nitro-2-benzothiazolinone
IUPAC Name: 6-nitro-3H-1,3-benzothiazol-2-one | CAS Registry Number: 28620-12-4
Synonyms: 441929_ALDRICH, 2(3H)-Benzothiazolone, 6-nitro-, 6-Nitro-2(3H)-benzothiazolone, JFD 02335, ZINC00155866, ZINC04137016, 6-nitro-1,3-benzothiazol-2(3H)-one, SR-01000644272-1, InChI=1/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10

Molecular Formula: C7H4N2O3SMolecular Weight: 196.183260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QITPMSSAFSZYOP-UHFFFAOYSA-N

• 1-Boc-4-Fluoro-4-Piperidinecarboxylic Acid
IUPAC Name: 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid | CAS Registry Number: 614731-04-3
Synonyms: 1-Boc-4-fluoro-4-piperidinecarboxylic Acid, 1-Boc-4-Fluoropiperidine-4-carboxylic acid, 1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid, PubChem23027, SureCN1476380, CTK5B3291, MolPort-020-014-951, HT784, ANW-72265, AKOS005265033, AC-3334, AG-G-24025, PB22122, AK-45298, AB1000122, KB-218419, AM20100498, FT-0690048, EN300-82590, A23146

Molecular Formula: C11H18FNO4Molecular Weight: 247.263323 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NRQOTEPIFSRDMH-UHFFFAOYSA-N

• 2-Chloro-6-nitrobenzothiazole
IUPAC Name: 2-chloro-6-nitro-1,3-benzothiazole | CAS Registry Number: 2407-11-6
Synonyms: 2-Chloro-6-nitro-benzothiazole, benzothiazole, 2-chloro-6-nitro-, EINECS 219-302-0, NSC503418, ZINC00369805, 2-chloro-6-nitro-1,3-benzothiazole, BAS 00263138, ST5220423, InChI=1/C7H3ClN2O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3

Molecular Formula: C7H3ClN2O2SMolecular Weight: 214.628920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KUCSJGBXJBQHNI-UHFFFAOYSA-N

• 1-(2-Amino-5-Nitrophenyl)Ethanone
IUPAC Name: 1-(2-amino-5-nitrophenyl)ethanone | CAS Registry Number: 32580-41-9
Synonyms: 1-(2-amino-5-nitrophenyl)ethanone, 1-(2-amino-5-nitrophenyl)ethan-1-one, Ethanone, 1-(2-amino-5-nitrophenyl)-, AC1Q1JG4, AGN-PC-005BEN, SureCN6241415, CTK1C0747, ANW-57018, ZINC39947673, AKOS015841032, (2-ACETYL-4-NITROPHENYL)AMINE, 1-(2-Amino-5-nitro-phenyl)-ethanone, 2'-AMINO-5'-NITROACETOPHENONE, AG-B-77721, MCULE-7741050097, AK-82124, AM803699, BD232478, KB-08203, A5828

Molecular Formula: C8H8N2O3Molecular Weight: 180.160720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WYSBWHYLQMVOOL-UHFFFAOYSA-N

• (1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 46032-98-8
Synonyms: 248886_ALDRICH, EINECS 256-250-8, CID6452039, ST5405908, (R(R*,R*))-2-Amino-1-phenylpropane-1,3-diol, (1R,2R)-(−)-2-Amino-1-phenyl-1,3-propanediol

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: JUCGVCVPNPBJIG-RKDXNWHRSA-N

• 2,2'-(1,3-Phenylene)bis-1H-Benzimidazole
IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole | CAS Registry Number: 29914-81-6
Synonyms: NSC133357, CID280940

Molecular Formula: C20H14N4Molecular Weight: 310.351960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DNYDWFIQGPJANT-UHFFFAOYSA-N

• 2-Fluoro-6-nitrobenzoic acid
IUPAC Name: 2-fluoro-6-nitrobenzoic acid | CAS Registry Number: 385-02-4
Synonyms: 2-Fluoro-6-nitrobenzoicacid, 2-Carboxy-3-fluoronitrobenzene, 6-fluoro-2-nitrobenzoic acid, SBB063404, PubChem1308, AC1LCO9A, ACMC-209j0j, SureCN355378, KSC222C6B, 2-Fluoro-6-nitro-benzoic acid, Jsp006739, Benzoicacid, 2-fluoro-6-nitro-, CTK1C2160, MolPort-001-776-050, Benzoic acid, 2-fluoro-6-nitro-, ACN-S004068, ACT00237, AC-880, ANW-28913, AKOS005063885

Molecular Formula: C7H4FNO4Molecular Weight: 185.109363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MPDZCNPDHUUPRL-UHFFFAOYSA-N

• (S,S)-(-)-2-Amino-1,2-Diphenylethanol
IUPAC Name: (1S,2S)-2-amino-1,2-diphenylethanol | CAS Registry Number: 23190-17-2
Synonyms: (1S,2S)-2-Amino-1,2-diphenyl-ethanol, trans-2-amino-1,2-diphenyl-ethanol, (1S,2S)-(-)-2-Amino-1,2-diphenylethanol, (S,S)-(-)-2-Amino-1,2-diphenylethanol, AC1LEXZ4, SureCN2763479, AC1Q59F3, CTK4F1058, AR-1L7013, AG-E-67427, (1S,2S)-2-amino-1,2-diphenylethanol, AC-10492, Benzeneethanol, b-amino-a-phenyl-, (aS,bS)-, Benzeneethanol,b-amino-a-phenyl-, [S-(R*,R*)]-;Ethanol,2-amino-1,2-diphenyl-, (1S,2S)-threo-(-)- (8CI);(1S,2S)-2-Amino-1,2-diphenylethanol;(S,S)-2-Amino-1,2-diphenyl-1-ethanol;

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GEJJWYZZKKKSEV-KBPBESRZSA-N

• (-)-Shikonin
IUPAC Name: 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione | CAS Registry Number: 517-89-5
Synonyms: shikonin, Alkannin, Anchusin, Alkanet extract, Anchusa acid, Tokyo Violet, Alkanna Red, Orkanet extract, Alcannin extract, Alkannin extract, Anchusin extract, Alkanet root extract, (+)-Shikonin, C.I. Natural Red 20, ARNEBIN-4, Alkanna tinctoria extract, Alkanet extract, inspissated, shikonin, (+)-isomer, Cerven prirodni 20 [Czech], ALKANNIN, 1-

Molecular Formula: C16H16O5Molecular Weight: 288.295240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NEZONWMXZKDMKF-UHFFFAOYSA-N

• 4-(hydroxymethyl)-4-Methyl-1-Piperidinecarboxylic Acid 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate | CAS Registry Number: 236406-21-6
Synonyms: 1-Boc-4-(hydroxymethyl)-4-methylpiperidine, 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine, tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate, PubChem16876, SureCN1709866, CTK4F1957, ANW-52195, ZINC14984807, AKOS015836977, AC-7662, AG-E-69255, PB25021, RP27836, AK-28686, BR-28686, EN000913, KB-61187, A4932, FT-0647938, W4727

Molecular Formula: C12H23NO3Molecular Weight: 229.315920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YFYSPIRFZKBBAU-UHFFFAOYSA-N

• 2-Iodo-6-methylpyridine
IUPAC Name: 2-iodo-6-methylpyridine | CAS Registry Number: 62674-71-9
Synonyms: SBB054318, AG-G-30582, 6-Iodo-2-picoline, 6-iodo-2-methylpyridine, 2-Iodo-6-methylpyridine;, Pyridine,2-iodo-6-methyl-, 2-iodanyl-6-methyl-pyridine, CTK5B5550, MolPort-009-196-918, ZINC39206282, AKOS015842505, AM83248, RL04384, AK-35898, KB-24657, FT-0651939, A833922, I02-1884

Molecular Formula: C6H6INMolecular Weight: 219.023010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NRQIFSBIYCSMQV-UHFFFAOYSA-N

• 2-Chloromethylbenzimidazole
IUPAC Name: 2-(chloromethyl)-1H-benzimidazole | CAS Registry Number: 4857-04-9
Synonyms: Dimezole-7, 2-(Chloromethyl)benzimidazole, Bionet2_000972, NCIOpen2_001638, C52055_ALDRICH, 2-(Chloromethyl)-1H-benzimidazole, TOS-BB-1230, WLN: T56 BM DNJ C1G, ZERO/001716, Benzimidazole, 2-(chloromethyl)-, 1H-Benzimidazole, 2-(chloromethyl)-, ALBB-003825, NSC15436, PDC 6886, EINECS 225-452-8, NSC103708, ZINC00088441, InChI=1/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11

Molecular Formula: C8H7ClN2Molecular Weight: 166.607580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SPMLMLQATWNZEE-UHFFFAOYSA-N

• 2-(4-Fluorophenyl)indole
IUPAC Name: 2-(4-fluorophenyl)-1H-indole | CAS Registry Number: 782-17-2
Synonyms: Maybridge1_007619, 2-(4-fluorophenyl)-1H-indole, ZINC00108656, CID136622, ST5307561, F-6385, AH-357/03371040

Molecular Formula: C14H10FNMolecular Weight: 211.234303 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VLHGDCJIDNVRFM-UHFFFAOYSA-N

• 6-amino-indole-1-carboxylic Acid Tert-butyl Ester
IUPAC Name: tert-butyl 6-aminoindole-1-carboxylate | CAS Registry Number: 219508-62-0
Synonyms: 1-Boc-6-aminoindole, tert-Butyl 6-amino-1H-indole-1-carboxylate, N-Boc-6-Aminoindole, tert-Butyl 6-amino-1-indolecarboxylate, PubChem21657, SureCN2003464, CTK4E8019, MolPort-003-986-613, ACT02500, ANW-46327, SBB070610, WTI-10837, ZINC02527000, AKOS015903868, AB18896, AG-E-60120, tert-butyl 6-azanylindole-1-carboxylate, AK-86352, KB-152315, TL8001820

Molecular Formula: C13H16N2O2Molecular Weight: 232.278340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KYZMFSVVFOVRNK-UHFFFAOYSA-N

• 3-hydroxymethyl-pyrrolidine-1-carboxylic Acid Ter-butyl-ester
IUPAC Name: tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 114214-69-6
Synonyms: Ambad26, 3-Hydroxymethyl-1-Boc-pyrrolidine

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HKIGXXRMJFUUKV-UHFFFAOYSA-N

• 1-Benzy-4-hydroxymethyl Piperidine
IUPAC Name: [1-(phenylmethyl)piperidin-4-yl]methanol | CAS Registry Number: 67686-01-5
Synonyms: Oprea1_527183, (1-benzyl-4-piperidinyl)methanol, 1-Benzyl-4-Piperidine-methanol, 1-Benzyl-4-hydroxymethylpiperidine, SDCCGMLS-0066148.P001, CID736802, EC-000.1863, TL8004768, 6X-0704, AE-641/14044007

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N

• 2-aminomethylbenzoic Acid
IUPAC Name: 2-(aminomethyl)benzoic acid | CAS Registry Number: 25672-97-3
Synonyms: NSC127011, ZERO/005960, CID277942, A4143/0176520

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CLTMYNWFSDZKKI-UHFFFAOYSA-N

• 4-Propylthio-2,5-dimethoxyphenethylamine
IUPAC Name: 2-(2,5-dimethoxy-4-propylsulfanylphenyl)ethanamine | CAS Registry Number: 207740-26-9
Synonyms: 2C-T-7, 4-PROPYLTHIO-2,5-DIMETHOXYPHENETHYLAMINE, 2,5-Dimethoxy-4-(n)-propylthiophenethylamine, 2,5-DIMETHOXY-4-PROPYLTHIOPHENETHYLAMINE, 2-(2,5-DIMETHOXY-4-(PROPYLTHIO)PHENYL)ETHANAMINE, 2,5 Dimethoxy-4-(propylthio) phenethylamine, Blue Mystic, Tweety-Bird Mescaline, NCGC00247673-01, UNII-TJG366J9BA, HSDB 7554, TJG366J9BA, CHEMBL126432, SCHEMBL1048251, DEA No. 7348, OLEVEPDJOFPJTF-UHFFFAOYSA-N, ZINC2513913, AKOS015897279, AB16676, CHM0008076

Molecular Formula: C13H21NO2SMolecular Weight: 255.376 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OLEVEPDJOFPJTF-UHFFFAOYSA-N

• 2,6-Dichloro-4-Iodopyridine
IUPAC Name: 2,6-dichloro-4-iodopyridine | CAS Registry Number: 98027-84-0
Synonyms: 2,6-Dichloro-4-iodopyridine, 2,6-dichloro-4-iodo-pyridine, 2 6-dichloro-4-iodopyridine, AG-H-98649, PYRIDINE, 2,6-DICHLORO-4-IODO-, PubChem17648, AGN-PC-00F4YI, 2,6-Dichloro-4-iodopyridine,, 654078_ALDRICH, CTK5H9657, MolPort-003-938-340, ACT01415, 4-IODO-2,6-DICHLOROPYRIDINE, ANW-49537, ZINC12359322, AKOS005257743, AB32018, LS20633, QC-9441, RP29692

Molecular Formula: C5H2Cl2INMolecular Weight: 273.886550 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NGSKFMPSBUAUNE-UHFFFAOYSA-N

• 5-fluoro-2-nitro-phenyl-hydrazine
IUPAC Name: (5-fluoro-2-nitrophenyl)hydrazine | CAS Registry Number: 1966-17-2
Synonyms: SureCN9596090, CTK4E2000, (5-Fluoro-2-nitro-phenyl)-hydrazine, Hydrazine,(5-fluoro-2-nitrophenyl)-, AKOS011663090, AG-E-43604

Molecular Formula: C6H6FN3O2Molecular Weight: 171.129143 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MNVYNYDGHWOQFD-UHFFFAOYSA-N

• 1-Methyl-1h-Imidazole-4-Carboxylic Acid
IUPAC Name: 1-methylimidazole-4-carboxylate | CAS Registry Number: 41716-18-1
Synonyms: ZINC02577860, CID7022156

Molecular Formula: C5H5N2O2-Molecular Weight: 125.105400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WZTRQGJMMHMFGH-UHFFFAOYSA-M

• 1,3-Dihydro-2H-pyrrolo[2.3-b]pyridine-2-one
IUPAC Name: 1,3-dihydropyrrolo[2,3-b]pyridin-2-one | CAS Registry Number: 5654-97-7
Synonyms: 1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one, 1H-pyrrolo[2,3-b]pyridin-2(3H)-one, 1,3-Dihydro-2H-pyrrolo[2,3-b]pyridine-2-one, 7-AZA-2-OXINDOLE, 1,3-dihydropyrrolo[2,3-b]pyridin-2-one, 2H-PYRROLO[2,3-B]PYRIDIN-2-ONE, 1,3-DIHYDRO-, 7-AZAOXINDOLE, ACMC-1ATQQ, SureCN578594, AGN-PC-00O9RJ, CTK8B5665, MolPort-005-934-770, ANW-49508, WTI-10314, ZINC14984260, AKOS006287010, 1H,3H-pyrrolo[2,3-b]pyridin-2-one, 7-AZA-2-OXINDOLE HYDROCHLORIDE, AC-5052, AG-F-98703

Molecular Formula: C7H6N2OMolecular Weight: 134.135340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZXSQEZNORDWBGZ-UHFFFAOYSA-N

• 2-Amino-3-iodo-5-nitropyridine
IUPAC Name: 3-iodo-5-nitropyridin-2-amine | CAS Registry Number: 25391-56-4
Synonyms: 3-iodo-5-nitropyridin-2-amine, 2-AMINO-3-IODO-5-NITROPYRIDINE, 3-Iodo-5-nitro-pyridin-2-ylamine, 3-Iodo-5-nitro-2-pyridinamine, 3-iodo-5-nitro-2-pyridylamine, SBB054261, iodonitropyridinamine, ACMC-1CCW2, AGN-PC-00CVBN, SureCN1222349, CTK4F5649, 2-Pyridinamine,3-iodo-5-nitro-, MolPort-002-041-553, ANW-51905, WTI-10888, ZINC20358037, AKOS005072289, AG-B-97270, AG-E-77724, MB04488

Molecular Formula: C5H4IN3O2Molecular Weight: 265.008630 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FEADVZZIWYNCBF-UHFFFAOYSA-N

• 2-Fluoro-5-Nitropyridine
IUPAC Name: 2-fluoro-5-nitropyridine | CAS Registry Number: 456-24-6
Synonyms: 2-Fluoro-5-nitropyridine, NSC26280, CID95264, EINECS 207-260-6, TL8003175

Molecular Formula: C5H3FN2O2Molecular Weight: 142.087923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XOZAJNLUAODXSP-UHFFFAOYSA-N

• 1-N-(tert-Butoxycarbonyl)-2-ethyl-piperazine G Y!
IUPAC Name: tert-butyl 2-ethylpiperazine-1-carboxylate | CAS Registry Number: 393781-71-0
Synonyms: 1-Boc-2-ethyl-piperazine, N-Boc-2-ethylpiperazine, 1-Boc-2-Ethylpiperazine, tert-butyl 2-ethylpiperazine-1-carboxylate, 1-N-BOC-2-ETHYLPIPERAZINE, 1-N-(TERT-BUTOXYCARBONYL)-2-ETHYL-PIPERAZINE, AG-F-39143, (S)-1-Boc-2-ethyl-piperazine, PubChem18360, SureCN336577, AGN-PC-01LR74, CTK4I1302, MolPort-003-985-761, N-1-BOC-2-ETHYL-PIPERAZINE, ANW-50318, RW2925, AKOS005258567, PB18595, QC-1957, RP26829

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CTCGRXDGXGUOTE-UHFFFAOYSA-N

• 3-Bromo-2-methylaniline
IUPAC Name: 3-bromo-2-methylaniline | CAS Registry Number: 55289-36-6
Synonyms: 3-Bromo-o-toluidine, 530018_ALDRICH, Benzenamine, 3-bromo-2-methyl-, EINECS 259-568-5, ZINC00403484, ST5408550

Molecular Formula: C7H8BrNMolecular Weight: 186.049120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IILVSKMKMOJHMA-UHFFFAOYSA-N


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