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Sinova Inc.

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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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• 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl ester
IUPAC Name: ethyl 2-methyl-5-propylpyrazole-3-carboxylate | CAS Registry Number: 133261-07-1
Synonyms: Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate, SureCN859, PubChem23663, Ethyl 2-methyl-5-propyl-pyrazole-3-carboxylate, CTK4B8444, ACN-C000861, ANW-61445, ZINC14985154, AKOS006291224, AG-D-67711, RP25447, AK-41337, A806586, I14-7809, 2-methyl-5-propyl-3-pyrazolecarboxylic acid ethyl ester

Molecular Formula: C10H16N2O2Molecular Weight: 196.246240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZPSRHLWRTVNGSM-UHFFFAOYSA-N

• 1H-Pyrazolo[3,4-B]pyridine
IUPAC Name: 1H-pyrazolo[3,4-b]pyridine | CAS Registry Number: 271-73-8
Synonyms: 1H-pyrazolo[3,4-b]pyridine, 7-Azaindazole, 2H-PYRAZOLO[3,4-B]PYRIDINE, 7-Aza-1H-indazole, Pyrazolo[3,4-b]pyridine, 271-71-6, SBB026996, pyrazolo[5,4-b]pyridine, ZINC03852638, SureCN7678, SureCN7679, 7-AZABENZPYRAZOLE, AC1MBS8G, ACMC-1CS3B, AC1Q4XB3, SureCN1495275, 1H-pyrazolo[3,4-b]pyridin, KSC202G5F, BESTIPHARMA 562-155, CTK1A2352

Molecular Formula: C6H5N3Molecular Weight: 119.124000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GVLRTOYGRNLSDW-UHFFFAOYSA-N

• 1,3-Dimethylpyrazole-5-carboxylic acid
IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid | CAS Registry Number: 5744-56-9
Synonyms: ZERO/009877, CID587721, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, Pyrazole-5-carboxylic acid, 1,3-dmethyl-, H09022, InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QRWZFUBHOQWUGH-UHFFFAOYSA-N

• 2-Bromo-5-fluoronitrobenzene
IUPAC Name: 1-bromo-4-fluoro-2-nitrobenzene | CAS Registry Number: 446-09-3
Synonyms: 1-Bromo-4-fluoro-2-nitrobenzene, ZINC02516088, EINECS 207-160-2, CID2773383, ST5408832, TL80074113

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XRXNWKIKQFEOGO-UHFFFAOYSA-N

• 3-Chloride-2-Methaniline
IUPAC Name: 3-chloro-2-methylaniline | CAS Registry Number: 87-60-5
Synonyms: 3-Chloro-o-toluidine, Scarlet TR Base, 3-Chloro-2-methylaniline, 2-Amino-6-chlorotoluene, o-Toluidine, 3-chloro-, Fast Scarlet TR Base, 3-Chloro-2-toluidine, o-Methyl-m-chloroaniline, 6-Chloro-2-aminotoluene, Azoic Diazo Component 46, 3-Chlor-2-toluidin, Benzenamine, 3-chloro-2-methyl-, 6-Chloro-ortho-toluidine, para-Chloro-ortho-toluidine, Toluene, 2-amino-6-chloro-, 3-Chlor-2-toluidin [Czech], 3-Chloro-2-toluidin [Czech], WLN: ZR CG B1, 1-Amino-3-chloro-2-methylbenzene, HSDB 5252

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N

• 1,3,8-Triazaspiro [4.5]decane-2,4-Dione
IUPAC Name: 1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione | CAS Registry Number: 13625-39-3
Synonyms: ZINC04204642, CID7128507

Molecular Formula: C7H12N3O2+Molecular Weight: 170.189080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: HRSWSISJJJDBOQ-UHFFFAOYSA-O

• 2-Cyanopyrazine
IUPAC Name: pyrazine-2-carbonitrile | CAS Registry Number: 19847-12-2
Synonyms: Cyanopyrazine, Pyrazinenitrile, Pyrazinonitrile, Pyrazinecarbonitrile, Pyrazine der., 2-Pyrazinecarbonitrile, Pyrazinecarbonitrile-, Pyrazine-2-carbonitrile, 2-CYANO PYRAZINE, NCIOpen2_000422, 349496_ALDRICH, CHEBI:3982, AIDS070605, AIDS-070605, CID73172, NSC72371, EINECS 243-369-5, NSC166137, ZINC00164542, NSC 166137

Molecular Formula: C5H3N3Molecular Weight: 105.097420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PMSVVUSIPKHUMT-UHFFFAOYSA-N

• 2-Aminoacetophenonehydrochloride
IUPAC Name: 2-(4-methylanilino)-1,3-thiazol-4-one | CAS Registry Number: 5468-37-1
Synonyms: CBMicro_020708, MLS000523635, 2-p-Tolylimino-thiazolidin-4-one, STK000201, ZINC00549785, ZINC01231751, ZINC01231752, BAS 00342586, SMR000122708, BIM-0020736.P001, ST5159865, Thiazolidin-4-one, 2-(4-methylphenylimino)-, (2E)-2-[(4-Methylphenyl)imino]-1,3-thiazolidin-4-one, 17385-68-1

Molecular Formula: C10H10N2OSMolecular Weight: 206.264200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LWRUIMYWCYBHAP-UHFFFAOYSA-N

• 2-Chloro-7-Fluoroquinazoline
IUPAC Name: 2-chloro-7-fluoroquinazoline | CAS Registry Number: 956101-10-3
Synonyms: 2-chloro-7-fluoroquinazoline, AG-H-93193, PubChem14313, ACMC-209unl, 2-Chloro-7-fluoro-quinazoline, CTK5H7886, MolPort-009-197-204, ANW-43999, AKOS006323460, RP24361, AK-27383, KB-22778, FT-0646769, X7067, A11159, I14-8964

Molecular Formula: C8H4ClFN2Molecular Weight: 182.582163 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FRAVNDLHGCORAY-UHFFFAOYSA-N

• (4S)-4-Hydroxy-D-Proline Methyl Ester Hydrochloride
IUPAC Name: methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride | CAS Registry Number: 481704-21-6
Synonyms: 40216-83-9, trans-4-Hydroxy-L-proline methyl ester hydrochloride, L-4-Hydroxyproline methyl ester hydrochloride, (2S,4R)-methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride, Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate Hydrochloride, ST059609, 144527-44-6, (2S,4R)-methyl4-hydroxypyrrolidine-2-carboxylatehydrochloride, 1-tert-Butyl2-Methyl(2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate, H-HYP-OME HCL, methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate, chloride, SureCN133898, KSC235M8H, 30681_ALDRICH, CHEMBL552640, 30681_FLUKA, CTK1D5683, MolPort-000-882-229, ACT02237, RW3708

Molecular Formula: C6H12ClNO3Molecular Weight: 181.617380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KLGSHNXEUZOKHH-JBUOLDKXSA-N

• 1-tert-Butoxycarbonyl-3-hydroxy piperidine
IUPAC Name: tert-butyl 3-hydroxypiperidine-1-carboxylate | CAS Registry Number: 85275-45-2
Synonyms: 1-Boc-3-piperidinol, 1-Boc-3-hydroxypiperidine, 1-Boc-3-hydroxy-piperidine, 94647_FLUKA, Azacyclohexan-3-ol, 1t-butyloxycarbonyl-, MO 07159, tert-Butyl 3-hydroxy-1-piperidinecarboxylate

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

InChIKey: UIJXHKXIOCDSEB-UHFFFAOYSA-N

• 2-Chlorooxazole-4-carboxylic acid
IUPAC Name: 2-chloro-1,3-oxazole-4-carboxylic acid | CAS Registry Number: 706789-07-3
Synonyms: 2-CHLOROOXAZOLE-4-CARBOXYLIC ACID, AG-G-76055, 2-chloro-1,3-oxazole-4-carboxylic acid, SureCN780577, CTK2H6840, 2-Chlorooxazole-4-carboxylicacid;, 4-Oxazolecarboxylicacid, 2-chloro-, ANW-57127, SBB067108, AKOS006306289, PB20528, RP01544, 2-CHLORO-4-OXAZOLECARBOXYLIC ACID, AK-72648, EN001214, KB-23258, 4-OXAZOLECARBOXYLIC ACID, 2-CHLORO-, Y9881, A25136, I14-1197

Molecular Formula: C4H2ClNO3Molecular Weight: 147.516580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AFZJELJKFJSQGN-UHFFFAOYSA-N

• (+)-Bis[(R)-1-Phenylethyl]amine Hydrochloride
IUPAC Name: bis[(1R)-1-phenylethyl]azanium | CAS Registry Number: 82398-30-9
Synonyms: ZINC01729680, ZINC01729683, CID6994959, I05-0295

Molecular Formula: C16H20N+Molecular Weight: 226.336700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: NXLACVVNHYIYJN-ZIAGYGMSSA-O

• 6-Methoxy-3-Nitro-2-Pyridineacetonitrile
IUPAC Name: 2-(6-methoxy-3-nitropyridin-2-yl)acetonitrile | CAS Registry Number: 111795-99-4
Synonyms: 6-Methoxy-3-nitropyridine-2-acetonitrile, (6-methoxy-3-nitropyridin-2-yl)acetonitrile, 2-(6-methoxy-3-nitropyridin-2-yl)acetonitrile, AC1LCYNT, 2-pyridineacetonitrile, 6-methoxy-3-nitro-, ACMC-1C5FW, SureCN3219042, Oprea1_864103, CTK4A7525, ZINC14985948, AKOS015851924, AG-D-30472, QC-6625, 2-Cyanomethyl-3-nitro-6-methoxy pyridine, 2-Pyridineacetonitrile,6-methoxy-3-nitro-, (6-Methoxy-3-nitro-2-pyridyl)acetonitrile, (6-Methoxy-3-nitro-pyridin-2-yl)-acetonitrile, InChI=1/C8H7N3O3/c1-14-8-3-2-7(11(12)13)6(10-8)4-5-9/h2-3H,4H2,1H

Molecular Formula: C8H7N3O3Molecular Weight: 193.159480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KOOPAOCWSWOMQI-UHFFFAOYSA-N

• 1-Methyl-3-propylpyrazole-5-carboxylic acid
IUPAC Name: 2-methyl-5-propylpyrazole-3-carboxylate | CAS Registry Number: 139755-99-0
Synonyms: ZINC00039727, CID4141129

Molecular Formula: C8H11N2O2-Molecular Weight: 167.185140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KOABFSONXOOIIH-UHFFFAOYSA-M

• 2-Chloropyridine-4-carboxaldehyde
IUPAC Name: 2-chloropyridine-4-carbaldehyde | CAS Registry Number: 101066-61-9
Synonyms: 2-Chloro-pyridine-4-carbaldehyde, ZINC03883725, CID2762994, 2Z-0705

Molecular Formula: C6H4ClNOMolecular Weight: 141.555060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UFPOSTQMFOYHJI-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-Phenyl-1,3-Propanediol
IUPAC Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol | CAS Registry Number: 28143-91-1
Synonyms: Ambap5865, 186546_ALDRICH, EINECS 248-867-6, EINECS 256-250-8, CID119881, L-()-threo-2-Amino-1-phenyl-1,3-propanediol, (1S,2S)-()-2-Amino-1-phenyl-1,3-propanediol, (S(R*,R*))-2-Amino-1-phenylpropane-1,3-diol

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

InChIKey: JUCGVCVPNPBJIG-IUCAKERBSA-N

• (2S,4R)-4-Hydroxy-1,2-Pyrrolidinedicarboxylic Acid 1,2-Bis(phenylmethyl) Ester
IUPAC Name: dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate | CAS Registry Number: 13500-53-3
Synonyms: (2S,4R)-1,2-Dicarbobenzyloxy-4-hydroxypyrrolidine, (2S,4R)-Dibenzyl 4-hydroxypyrrolidine-1,2-dicarboxylate, (2S,4R)-1,,2-dicarbobenzyloxy-4-hydroxypyrrolidine, SureCN2678864, CTK4B9600, MolPort-016-578-664, ANW-74430, AKOS015836771, AKOS015896280, AG-I-03415, AK-56975, KB-01329, FT-0682208, I06-2167, (2S,4R)-1,2-Dicarbobenzyloxy-4-hydroxypyrrolidine;, 1,2-dibenzyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate, DIBENZYL (2S,4R)-4-HYDROXY-1,2-PYRROLIDINEDICARBOXYLATE, (2S,4R)-4-HYDROXY-1,2-PYRROLIDINEDICARBOXYLIC ACID 1,2-BIS(PHENYLMETHYL) ESTER, 1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1,2-bis(phenylmethyl) ester, (2S,4R)-

Molecular Formula: C20H21NO5Molecular Weight: 355.384440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XHKMBFDLCAZWCR-MSOLQXFVSA-N

• 2-Amino-6-nitrobenzimidazole
IUPAC Name: 6-nitro-1H-benzimidazol-2-amine | CAS Registry Number: 6232-92-4
Synonyms: MLS000757108, NSC287065, CID5220052, SMR000528881, TL8004112, InChI=1/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10

Molecular Formula: C7H6N4O2Molecular Weight: 178.148140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HSEDDANFWUMVCY-UHFFFAOYSA-N

• 2-Amino 6 Methoxy Benzothiazole
IUPAC Name: 6-methoxy-1,3-benzothiazol-2-amine | CAS Registry Number: 1747-60-0
Synonyms: 2-Amino-6-methoxybenzothiazole, 2-Benzothiazolamine, 6-methoxy-, 6-Methoxy-2-aminobenzothiazole, 2-Amino-6-methoxy benzothiazole, Benzothiazole, 2-amino-6-methoxy-, CCRIS 1393, 6-METHOXY-2-BENZOTHIAZOLAMINE, 6-Methoxybenzothiazol-2-ylamine, Oprea1_245185, A60806_ALDRICH, MLS000565568, 162590_ALDRICH, 2-Amino-6-methoxybenzothiophene, EINECS 217-130-0, 6-methoxy-1,3-benzothiazol-2-amine, NSC 27516, NSC27516, WLN: T56 BN DSJ CZ GO1, BRN 0131202, LS-939

Molecular Formula: C8H8N2OSMolecular Weight: 180.226920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KZHGPDSVHSDCMX-UHFFFAOYSA-N

• 1-Aminohydantoin
IUPAC Name: 1-aminoimidazolidine-2,4-dione;hydrochloride | CAS Registry Number: 2827-56-7
Synonyms: 1-Aminohydantoin hydrochloride, 1-aminoimidazolidine-2,4-dione hydrochloride, SBB004061, 1-Aminohydantoin HCl, AC1Q3DFU, ACMC-209h1m, SureCN1126384, 1-Amino hydantoin hydrochloride, 33655_RIEDEL, 545953_ALDRICH, Jsp005434, 33655_FLUKA, CTK1A1799, MolPort-001-760-484, ANW-26360, AKOS007930192, AG-A-18459, MCULE-7370713803, RP21519, AK-81573

Molecular Formula: C3H6ClN3O2Molecular Weight: 151.551640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WEOHANUVLKERQI-UHFFFAOYSA-N

• 2-Chloro-7-Fluoro-4-Quinazolinamine
IUPAC Name: 2-chloro-7-fluoroquinazolin-4-amine | CAS Registry Number: 1107695-02-2
Synonyms: 2-chloro-7-fluoroquinazolin-4-amine, 4-Amino-2-chloro-7-fluoroquinazoline, 2-Chloro-4-amino-7-fluoroquinazoline, PubChem14308, CTK0G9221, ANW-72067, ZINC26899456, AKOS006345305, QC-8138, 4-Quinazolinamine, 2-chloro-7-fluoro-, AK-56990, KB-22777, 2-CHLORO-7-FLUORO-4-QUINAZOLINAMINE, FT-0684314, I05-0520

Molecular Formula: C8H5ClFN3Molecular Weight: 197.596803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FZZMTSNZRBFGGU-UHFFFAOYSA-N

• 2-Mercaptobenzothiazole
IUPAC Name: 3H-1,3-benzothiazole-2-thione | CAS Registry Number: 149-30-4
Synonyms: Captax, Sulfadene, Dermacid, Thiotax, Kaptax, Mertax, Rotax, Accelerator M, Mebetizole, Mebithizol, Kaptaks, Vulkacit M, Benzothiazolethiol, Rokon, Ekagom G, mebetizol, Accel M, 2-Benzothiazolethiol, Soxinol M, Vulkacit Mercapto

Molecular Formula: C7H5NS2Molecular Weight: 167.251300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

• 2-Amino-6-Methylsulphonyl Benzothiazole
IUPAC Name: 6-methylsulfonyl-1,3-benzothiazol-2-amine | CAS Registry Number: 17557-67-4
Synonyms: Maybridge1_008993, MixCom3_000185, Oprea1_366974, MLS000084909, 2-Aminobenzothiazole-6-methyl sulfone, EINECS 241-537-2, AIDS108382, 2-Aminobenzothiazolyl-6 methyl sulfone, 2-Benzothiazolamine, 6-(methylsulfonyl)-, 6-(Methylsulfonyl)-2-benzothiazolamine, 6-Methylsulphonylbenzothiazol-2-ylamine, AIDS-108382, 2-Amino-6-(methylsulfonyl)benzothiazole, ZINC00129448, SDCCGMLS-0054993.P002, 6-(Methylsulfonyl)benzothiazole-2-ylamine, LS-40631, SMR000019255, ST5194157, 6-(methylsulfonyl)-1,3-benzothiazol-2-amine

Molecular Formula: C8H8N2O2S2Molecular Weight: 228.291320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZYHNHJAMVNINSY-UHFFFAOYSA-N

• 2-Chloro-6-Fluoro-4-Quinazolinamine
IUPAC Name: 2-chloro-6-fluoroquinazolin-4-amine | CAS Registry Number: 192323-44-7
Synonyms: 2-chloro-6-fluoroquinazolin-4-amine, 4-Amino-2-chloro-6-fluoroquinazoline, PubChem14299, CTK0G9419, ANW-72068, ZINC26899452, AKOS006303180, AB60758, 4-Quinazolinamine, 2-chloro-6-fluoro-, AK-56989, KB-36266, AB1000859, 2-CHLORO-6-FLUORO-4-QUINAZOLINAMINE, A4244, FT-0684312, 2-CHLORO-4-AMINO-6-FLUOROQUINAZOLINE, I14-8519

Molecular Formula: C8H5ClFN3Molecular Weight: 197.596803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IOIRCNIDSMQRAL-UHFFFAOYSA-N

• 2-Chloro-7-Fluoro-4(3H)-Quinazolinone
IUPAC Name: 2-chloro-7-fluoro-1H-quinazolin-4-one | CAS Registry Number: 1107694-77-8
Synonyms: 2-chloro-7-fluoroquinazolin-4(3H)-one, PubChem14312, SureCN578053, SureCN578054, CTK8C2488, ANW-68478, AKOS006324514, 2-chloro-7-fluoro-3H-quinazolin-4-one, AK-79551, KB-22776, FT-0684315, I14-14426

Molecular Formula: C8H4ClFN2OMolecular Weight: 198.581563 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YRUBIFAMCRFPPC-UHFFFAOYSA-N

• 2-(4-bromo-1h-indol-3-yl)acetonitrile
IUPAC Name: 2-(4-bromo-1H-indol-3-yl)acetonitrile | CAS Registry Number: 89245-35-2
Synonyms: 2-(4-bromo-1H-indol-3-yl)acetonitrile, 1H-Indole-3-acetonitrile,4-bromo-, ACMC-20ljuq, SureCN3563873, 4-Bromoindole-3-acetonitrile, CTK5G2662, AG-H-61223, MCULE-5837086452, (4-Bromo-1H-indol-3-yl)-acetonitrile, KB-222305

Molecular Formula: C10H7BrN2Molecular Weight: 235.079980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CGFUOBNYUICDPH-UHFFFAOYSA-N

• 2-Chloro-5-Fluoro Nitrobenzene
IUPAC Name: 1-chloro-4-fluoro-2-nitrobenzene | CAS Registry Number: 345-17-5
Synonyms: 2-Chloro-5-fluoronitrobenzene, 368709_ALDRICH, ZINC01847554, 1-Chloro-4-fluoro-2-nitrobenzene, CID67659, EINECS 206-456-9

Molecular Formula: C6H3ClFNO2Molecular Weight: 175.544923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DVXDJQKEEKXJBW-UHFFFAOYSA-N

• 5,7-Dimethyl-2-Benzothiazolamine
IUPAC Name: 5,7-dimethyl-1,3-benzothiazol-2-amine | CAS Registry Number: 73351-87-8
Synonyms: 5,7-dimethyl-1,3-benzothiazol-2-amine, F1911-0028, ZINC02455743, AC1M1HBD, MLS000678445, MolPort-003-085-041, HMS2725N16, 5,7-Dimethyl-benzothiazol-2-ylamine, STL282266, AKOS005148486, MCULE-5545163514, SMR000323914, 5,7-DIMETHYLBENZOTHIAZOL-2-YLAMINE

Molecular Formula: C9H10N2SMolecular Weight: 178.254100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AKPWHGBCJISNKZ-UHFFFAOYSA-N

• 4-Thiomorpholin-1-Oxide
IUPAC Name: 1,4-thiazinane 1-oxide;hydrochloride | CAS Registry Number: 39213-13-3
Synonyms: SureCN564662, MolPort-016-636-243, 1-Oxide thiomorpholine hydrochloride, AKOS008146524, MCULE-1812570930, FT-0685909, 1$l^{4},4-thiomorpholin-1-one hydrochloride, EN300-69588, 76176-87-9

Molecular Formula: C4H10ClNOSMolecular Weight: 155.646300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CNAHTBMMJSMMEC-UHFFFAOYSA-N

• (1R,2S)-2-Amino-1,2-diphenylethanol
IUPAC Name: (1R,2S)-2-amino-1,2-diphenylethanol | CAS Registry Number: 23190-16-1
Synonyms: (1R,2S)-(-)-2-Amino-1,2-diphenylethanol, (1R,2S)-2-Amino-1,2-diphenyl-ethanol, PubChem5986, AC1LEXYY, AC1Q59PK, SureCN1131702, KSC201S9N, 331899_ALDRICH, CHEMBL442934, Jsp004682, CTK1A1996, GEJJWYZZKKKSEV-UONOGXRCSA-, MolPort-001-794-198, KST-1A2944, ACN-S001453, ACN-S003457, ACT06724, ACT07644, ANW-25077, AR-1A1156

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

InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N

• 1,8-Dihydroxynaphthalene
IUPAC Name: naphthalene-1,8-diol | CAS Registry Number: 569-42-6
Synonyms: 1,8-Naphthalenediol, Naphthalene-1,8-diol, AIDS017776, AIDS-017776, CID68438, EINECS 209-316-5, SL-00764, InChI=1/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OENHRRVNRZBNNS-UHFFFAOYSA-N

• 2-Amino-6-Nitrobenzothiazole
IUPAC Name: 6-nitro-1,3-benzothiazol-2-amine | CAS Registry Number: 6285-57-0
Synonyms: 2-Benzothiazolamine, 6-nitro-, 6-Nitrobenzothiazol-2-amine, 6-Nitro-2-aminobenzothiazole, 2-AMINO-6-NITROBENZOTHIAZOLE, Maybridge1_005516, 6-Nitro-2-benzothiazolamine, Benzothiazole, 2-amino-6-nitro-, CCRIS 1391, NCIOpen2_000006, NCIOpen2_000201, DivK1c_001804, 190241_ALDRICH, 6-Nitro-1,3-benzothiazol-2-amine, EINECS 228-513-7, NSC 10794, NSC 62341, NSC 62980, NSC10794, NSC62341, NSC62980

Molecular Formula: C7H5N3O2SMolecular Weight: 195.198500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GPNAVOJCQIEKQF-UHFFFAOYSA-N

• (2r)-1-Acetyl-2,3-Dihydro-1h-Indole-2-Carboxylic Acid
IUPAC Name: (2R)-1-acetyl-2,3-dihydroindole-2-carboxylic acid | CAS Registry Number: 103476-80-8
Synonyms: (R)-1-Acetylindole-2-carboxylic acid, (R)-1-ACETYLINDOLINE-2-CARBOXYLIC ACID, (R)-1-Acetylindolin-2-carboxylic acid, SureCN2824809, 1H-Indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-, (2R)-, CTK0H2482, AB16686, AG-D-14382, AC-12596, AK-55288, (2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID, 1H-Indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-, (R)-; (R)-1-Acetylindoline-2-carboxylic acid

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OGMIMMRKTFZDKW-SNVBAGLBSA-N

• 2-Amino-3,5-dibromo-6-methylpyridine
IUPAC Name: 3,5-dibromo-6-methylpyridin-1-ium-2-amine | CAS Registry Number: 91872-10-5
Synonyms: ZINC00160643, CID6932399

Molecular Formula: C6H7Br2N2+Molecular Weight: 266.941180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: BLUYMDMBXIMIGK-UHFFFAOYSA-O

• 2-Chloro-6-Ethoxybenzothiazole
IUPAC Name: 2-chloro-6-ethoxy-1,3-benzothiazole | CAS Registry Number: 79071-17-3
Synonyms: MLS000678673, NSC503417, CID350015, ZINC01602937, SMR000323902, F1910-0015

Molecular Formula: C9H8ClNOSMolecular Weight: 213.683920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OJRYLNVGOPEAEP-UHFFFAOYSA-N

• 2,4-Difluoro-3-Methoxy Benzoic Acid
IUPAC Name: 2,4-difluoro-3-methoxybenzoic acid | CAS Registry Number: 178974-97-5
Synonyms: Ambap6959, JRD-1454, 2,4-Difluoro-3-methoxybenzoic acid

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KWLIGHXPUYUTBH-UHFFFAOYSA-N

• 1H-Indazole-6-carbaldehyde
IUPAC Name: 1H-indazole-6-carbaldehyde | CAS Registry Number: 669050-69-5
Synonyms: 1H-indazole-6-carbaldehyde, 6-Formylindazole, 1H-Indazole-6-carboxaldehyde, 6-Formyl-1H-indazole, INDAZOLE-6-CARBOXALDEHYDE, PubChem23878, ACMC-1BC45, INDAZOLE-6-CARBALDEHYDE, CTK5C5371, 1H-INDAZOLE-6-CABALDEHYDE, MolPort-004-766-165, ANW-57948, WTI-11114, ZINC19045767, AKOS005257068, AG-G-52580, MCULE-3928703897, OR40229, PB30846, RP01486

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JTWYTTXTJFDYAG-UHFFFAOYSA-N

• 1-Aminocyclopropane-1-Carboxylic Acid
IUPAC Name: 1-aminocyclopropane-1-carboxylic acid | CAS Registry Number: 22059-21-8
Synonyms: acpc, 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, Ambap1703, Spectrum_001270, SpecPlus_000710, Spectrum2_001475, Spectrum3_001515, Spectrum4_000771, Spectrum5_001755, Lopac-A-0430, Biomol-NT_000194, Cyclopropanecarboxylic acid, 1-amino-, 1-aminocyclopropane-1-carboxylate, CPD-68, Lopac0_000072, BSPBio_003189, KBioGR_001182, KBioSS_001750, 1-Amino-1-carboxycyclopropane

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N

• 2-Amino-5-Chloro-3-(trimethylsilyl)acetylenylpyridine
IUPAC Name: 5-chloro-3-(2-trimethylsilylethynyl)pyridin-2-amine | CAS Registry Number: 866318-90-3
Synonyms: 5-Chloro-3-((trimethylsilyl)ethynyl)pyridin-2-amine, 5-chloro-3-[2-(trimethylsilyl)ethynyl]-2-pyridinamine, 2-AMINO-5-CHLORO-3-(TRIMETHYLSILYL)ACETYLENYLPYRIDINE, AC1Q29ST, SureCN1665941, CTK5F7042, MolPort-005-956-981, ANW-74152, SBB096746, AKOS005072061, AG-H-49438, CC-0010, RP12981, AK-80402, KB-245613, A-6633, 2-Pyridinamine,5-chloro-3-[2-(trimethylsilyl)ethynyl]-, 5-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine, 3-(3,3-dimethyl-3-silabut-1-ynyl)-5-chloro-2-pyridylamine, 2-Pyridinamine,5-chloro-3-[(trimethylsilyl)ethynyl]- (9CI);[5-Chloro-3-[(trimethylsilanyl)ethynyl]pyridin-2-yl]amine

Molecular Formula: C10H13ClN2SiMolecular Weight: 224.762120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZSDHUMNIBZFFM-UHFFFAOYSA-N

• 1-Cyclopropyl-1-Propanone
IUPAC Name: 1-cyclopropylpropan-1-one | CAS Registry Number: 6704-19-4
Synonyms: 1-cyclopropylpropan-1-one, 1-Cyclopropyl-1-propanone, Cyclopropyl ethyl ketone, Ethyl cyclopropyl ketone, JXAVVBPORYWDME-UHFFFAOYSA-N, AC1LC82C, 1-cyclopropyl-propan-1-one, 1-Propanone, 1-cyclopropyl-, MolPort-008-545-467, AKOS010015553, NE44247, AK170499, DB-073826, EN300-84556, T7115131

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JXAVVBPORYWDME-UHFFFAOYSA-N

• 1-Benzylpiperidine-4-Carboxylic Acid
IUPAC Name: 1-benzylpiperidine-4-carboxylic acid | CAS Registry Number: 10315-07-8
Synonyms: 1-benzylpiperidine-4-carboxylic acid, 1-Benzyl-Isonipecotic Acid, 1-Benzylpiperidine-4-CarboxylicAcid, SBB053307, 1-Benzyl-piperidine-4-carboxylic acid, AC1NFWEX, BZL-INP-OH, AC1Q74NX, AC1Q74NY, SureCN1519223, BZL-ISONIPECOTIC ACID, CTK0H4273, N-BENZYL-ISONIPECOTIC ACID, MolPort-000-002-424, ACN-S002917, 1-BENZYL-4-CARBOXYPIPERIDINE, ANW-59886, STK354950, AKOS000125168, AB14004

Molecular Formula: C13H17NO2Molecular Weight: 219.279580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZMVSVQMWFTZSJQ-UHFFFAOYSA-N

• 6-Methoxy-3-nitro-2-picoline
IUPAC Name: 4-(5,10-diiodo-1,3-dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,5-dien-1-one | CAS Registry Number: 5467-69-6
Synonyms: ZINC08397133, BAS 00428060, AG-690/10533004, 4-(5,10-Diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)-phenol, 4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol

Molecular Formula: C21H12I2N2OMolecular Weight: 562.141720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FGYIYUHNRWNTAA-UHFFFAOYSA-N

• 2,4-Dichloro-7-FluoroQuinazoline
IUPAC Name: 2,4-dichloro-7-fluoroquinazoline | CAS Registry Number: 174566-15-5
Synonyms: 2,4-dichloro-7-fluoroquinazoline, AG-E-24177, PubChem14316, CTK0H3308, ANW-48272, ZINC26894511, AKOS015853481, RP05031, 7-FLUORO-2,4-DICHLOROQUINAZOLINE, AK-45541, BR-45541, KB-17422, AB1000935, FT-0659252, ST51054902, W3813, I14-3297, 7-Fluoro-2,4-dichloroquinazoline;quinazoline, 2,4-dichloro-7-fluoro-;

Molecular Formula: C8H3Cl2FN2Molecular Weight: 217.027223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HHGKYNUUYMRIAV-UHFFFAOYSA-N

• 2-Amino-1,3-Oxazole-4-Carboxylic Acid
IUPAC Name: 2-amino-1,3-oxazole-4-carboxylic acid | CAS Registry Number: 944900-52-1
Synonyms: 2-Amino-1,3-oxazole-4-carboxylic acid, 2-Aminooxazole-4-carboxylic acid, 2-Amino-4-carboxy-1,3-oxazole, F2158-0746, PubChem19787, ACMC-209rsb, SureCN1816453, CTK5H6716, 2-Amino oxazole-4-carboxylic acid, 2-Aminooxazole-4-carboxylic acid,, ANW-40281, SBB053190, AKOS006313289, AG-H-90190, MCULE-7591773620, PB31410, AK-45380, KB-20794, AB1010076, FT-0647354

Molecular Formula: C4H4N2O3Molecular Weight: 128.086160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HLHGBUDVJAFBRN-UHFFFAOYSA-N

• 2,4-Dichloro-6-FluoroQuinazoline
IUPAC Name: 2,4-dichloro-6-fluoroquinazoline | CAS Registry Number: 134517-57-0
Synonyms: 2,4-dichloro-6-fluoroquinazoline, Quinazoline,2,4-dichloro-6-fluoro-, AG-D-70456, QUINAZOLINE, 2,4-DICHLORO-6-FLUORO-, PubChem14294, ACMC-20ai76, AGN-PC-0142E6, CTK4B9226, 2?4-dichloro-6-fluoroquinazoline, ANW-74512, WTI-11956, ZINC26894509, AKOS015853535, AB55585, RP05030, AK-49361, KB-17396, WT-130649, AM20020414, FT-0682240

Molecular Formula: C8H3Cl2FN2Molecular Weight: 217.027223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VLPYLGGGYDUVJN-UHFFFAOYSA-N

• 1-Acetyl-5-amino-2,3-dihydro-1H-indole
IUPAC Name: 1-(5-amino-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 4993-96-8
Synonyms: 1-acetylindolin-5-amine, 1-Acetyl-5-aminoindoline, Oprea1_842763, NSC158317, ALBB-009264, CID292507, SBB010097, ZINC00080838, BAS 00146976, 1-Acetyl-2,3-dihydro-1H-indol-5-ylamine, 1-(5-Amino-2,3-dihydro-indol-1-yl)-ethanone

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WSDUFDGEYKOQRT-UHFFFAOYSA-N

• 1H-Pyrazole-5-Methanamine Dihydrochloride
IUPAC Name: 1H-pyrazol-5-ylmethanamine;dihydrochloride | CAS Registry Number: 1037237-32-3
Synonyms: 1H-Pyrazole-3-methaneamine dihydrochloride, 1-H-PYRAZOLE-3-METHANEAMINE DIHYDROCHLORIDE, 1H-Pyrazol-5-ylmethylamine dihydrochloride, C-(1H-Pyrazol-3-yl)-methylamine dihydrochloride, (1H-pyrazol-3-yl)methanamine dihydrochloride, PubChem14846, SureCN4428877, MolPort-016-578-785, AKOS015898290, AKOS015994785, RP23202, 1H-Pyrazol-5-ylmethylaminedihydrochloride, KB-12441, 1H-pyrazol-3-ylmethanamine dihydrochloride, I11-0282, 3-Aminomethyl-2H-pyrazole dihydrochloride; 1H-Pyrazole-5-methanamine dihydrochloride

Molecular Formula: C4H9Cl2N3Molecular Weight: 170.040360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: ZQIIUAXAEOUVGI-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl)piperazine hydrochloride
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine;hydrochloride | CAS Registry Number: 119532-26-2
Synonyms: 41202-77-1, 1-(2,3-Dichlorophenyl)piperazine monohydrochloride, SBB003054, 1-(2,3-Dichlorophenyl)-piperazine hydrochloride, 1-(2,3-dichlorophenyl)-piperazine monohydrochloride, (2,3-dichlorophenyl)piperazine, chloride, zlchem 392, PubChem8589, SureCN246338, AGN-PC-00D0JT, ACMC-209a34, 679135_ALDRICH, CTK0H4814, ZLC0238, MolPort-001-769-710, ACN-S002575, ACN-S002576, ACT02157, ANW-17342, FC0193

Molecular Formula: C10H13Cl3N2Molecular Weight: 267.582620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N

• 2,2'-(1,3-Phenylene)bisBenzoxazole
IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole | CAS Registry Number: 59049-84-2
Synonyms: 2,2-m-Phenylene-bis-benzoxazole, 2,2-m-pheylene-bis-benzoxazol, 1,3-di(benzo[d]oxazol-2-yl)benzene, 2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole, 1,3-Bis(benzo[d]oxazol-2-yl)benzene, 59849-84-2, Benzoxazole,2,2'-(1,3-phenylene)bis-, benzoxazole, 2,2'-(1,3-phenylene)bis-, AG-690/33362011, ZINC00236192, AC1LFZV1, SureCN376001, AC1Q4WL3, CTK5A9362, MolPort-001-012-341, HMS1607N19, ANW-74394, AR-1H9384, CCG-15236, STK295554

Molecular Formula: C20H12N2O2Molecular Weight: 312.321480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RYDGJSHONGAQOS-UHFFFAOYSA-N


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