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All Chemistry Inc.

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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

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• SP-8356
IUPAC Name: (1S,5R)-4-[(E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one | CAS Registry Number: 1454885-45-0
Synonyms: CHEMBL2426707, HY-130234, CS-0105869, (1S,5R)-4-[(E)-2-(3,4-Dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

Molecular Formula: C18H20O4Molecular Weight: 300.300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ITCSXIQQWJYZHT-QITAHTHBSA-N

• Stafia-1 (CAS: 2582757-90-0)
• Stearic acid
IUPAC Name: octadecanoic acid | CAS Registry Number: 57-11-4
Synonyms: stearic acid, Octadecanoic acid, Octadecansaeure, Stearinsaeure, Vanicol, Stearex Beads, Cetylacetic acid, Industrene R, Stearophanic acid, Pearl stearic, Glycon DP, Glycon TP, n-Octadecanoic acid, Stearate, octadecoic acid, Hystrene 80, Humko Industrene R, Acidum stearinicul, Hystrene S-97, Hystrene T-70

Molecular Formula: C18H36O2Molecular Weight: 284.477240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N

• SU5208
IUPAC Name: 3-(thiophen-2-ylmethylidene)-1H-indol-2-one | CAS Registry Number: 62540-08-3
Synonyms: AC1L7DHL, Maybridge3_000930, SureCN3754999, CTK2B7828, 3-(2-thienylmethylidene)indolin-2-one, MCULE-9374654852, 3-(thiophen-2-ylmethylidene)-1H-indol-2-one, 2H-Indol-2-one, 1,3-dihydro-3-(2-thienylmethylene)-

Molecular Formula: C13H9NOSMolecular Weight: 227.281660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QMTIIBUDOBNABZ-UHFFFAOYSA-N

• Sucrose
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 57-50-1
Synonyms: sucrose, saccharose, Cane sugar, sugar, Table sugar, White sugar, D-Sucrose, Saccharum, Rohrzucker, Amerfand, Sucrose, dust, Sucrose, pure, D(+)-Saccharose, sacarosa, D(+)-Sucrose, D-(+)-Saccharose, beta-D-Fructofuranosyl alpha-D-glucopyranoside, Amerfond, Microse, Beet sugar

Molecular Formula: C12H22O11Molecular Weight: 342.300 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N

• Tacrolimus
Synonyms: tacrolimus, Prograf, Advagraf, Fujimycin, Graceptor, Modigraf, Protopic, Protopy, LCP-Tacro, Ambap5429, Fk-506, BSPBio_001279, MLS000759471, NChemBio.2007.16-comp1, FK506, FK 506, LMPK01000002, FR-900506, IDI1_001040, NCGC00163470-01

Molecular Formula: C44H69NO12Molecular Weight: 804.018160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

• Tariquidar
IUPAC Name: N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide | CAS Registry Number: 206873-63-4
Synonyms: tariquidarth, Tariquidar (USAN/INN), UNII-J58862DTVD, CHEBI:359664, XR9576, XR 9576, CID148201, D06008, C402343, N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide, 1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]phenyl}-4,5-dimethoxy-2-(3-quinolylcarboxamido)benzamide, 3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-

Molecular Formula: C38H38N4O6Molecular Weight: 646.731520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: LGGHDPFKSSRQNS-UHFFFAOYSA-N

• Taurine
IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula: C2H7NO3SMolecular Weight: 125.146880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• Temephos
IUPAC Name: [4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 3383-96-8
Synonyms: temephos, Temefos, Difos, Etidronsaeure, Tetrafenphos, Abathion, Biothion, Difenphos, Abaphos, Bithion, Nimitex, Nimitox, Procida, Swebate, Diphos, Nephis, Swebat, Lypor, ABATE, Nephis 1G

Molecular Formula: C16H20O6P2S3Molecular Weight: 466.468922 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WWJZWCUNLNYYAU-UHFFFAOYSA-N

• Tempo
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidine | CAS Registry Number: 2564-83-2
Synonyms: Tanane, Tanan, TEMPO, Tetramethylpiperidinooxy, Tetramethylpiperidine nitroxide, C9H19NO, 2,2,6,6-Tetramethylpiperidoxyl, 2,2,6,6-Tetramethylpiperidinooxy, 214000_ALDRICH, 426369_ALDRICH, 2,2,6,6-Tetramethylpiperidinooxyl, 2,2,6,6-Tetramethylpiperidinyloxy, 87903_FLUKA, CHEBI:32849, EINECS 219-888-8, 2,2,6,6-Tetramethyl-1-piperidinyloxy, 2,2,6,6-Tetramethylpiperidine-1-oxyl, BRN 1422418, 1-Piperidinyloxy, 2,2,6,6-tetramethyl-, PIPERIDINOOXY, 2,2,6,6-TETRAMETHYL-

Molecular Formula: C9H18NOMolecular Weight: 156.245320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QYTDEUPAUMOIOP-UHFFFAOYSA-N

• Teneligliptin hydrobromide
IUPAC Name: [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;pentahydrobromide | CAS Registry Number: 906093-29-6
Synonyms: UNII-556RZT8JPF, 556RZT8JPF, Teneligliptin hydrobromide anhydrous, HY-14806A, CS-1098, W-5994, Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-, hydrobromide (2:5)

Molecular Formula: C44H65Br5N12O2S2Molecular Weight: 1257.716100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: LUXIOMHUGCXFIU-MAYGPZJUSA-N

• Tert-Butyldimethylsilyl Chloride
IUPAC Name: tert-butyl-chloro-dimethylsilane | CAS Registry Number: 18162-48-6
Synonyms: TBDMS chloride, TBDMSCl solution, t-Butyldimethylchlorosilane, TBDMSCl, tert-Butyldimethylchlorosilane, tert-Butylchlorodimethylsilane, Tert-Butyldimethylsilyl chloride, Chloro-tert-butyldimethylsilane, UPCMLD00WV-84, Silane, chloro-tert-butyldimethyl-, tert-Butyl(chloro)dimethylsilane, 190500_ALDRICH, 372951_ALDRICH, 384429_ALDRICH, 473464_ALDRICH, Silane, chloro(1,1-dimethylethyl)dimethyl-, 19905_FLUKA, 19906_FLUKA, EINECS 242-042-4, SILANE, t-BUTYLCHLORODIMETHYL-

Molecular Formula: C6H15ClSiMolecular Weight: 150.721800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCNZYOJHNLTNEZ-UHFFFAOYSA-N

• Tetrafluoroterephthalic acid
IUPAC Name: 2,3,5,6-tetrafluoroterephthalic acid | CAS Registry Number: 652-36-8
Synonyms: 104418_ALDRICH, CID69549, NSC96897, 2,3,5,6-Tetrafluoro terephthalic acid, EINECS 211-489-7, 2,3,5,6-Tetrafluoroterephthalic acid, TL8004632, 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid, 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-, InChI=1/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16

Molecular Formula: C8H2F4O4Molecular Weight: 238.092693 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: WFNRNCNCXRGUKN-UHFFFAOYSA-N

• Tetramethylcurcumin
IUPAC Name: (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione | CAS Registry Number: 52328-97-9
Synonyms: FLLL31, SureCN10054233, CHEMBL2172011, (E,E)-1,7-Bis(3,4-dimethoxyphenyl)-4,4-dimethyl-1,6-heptadiene-3,5-dione

Molecular Formula: C25H28O6Molecular Weight: 424.486220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VMMZAMVBGQWOHT-UTLPMFLDSA-N

• Tetramisole Hydrochloride
IUPAC Name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride | CAS Registry Number: 5086-74-8
Synonyms: Anthelvet, Ascarotrat, Concurat, Nilverom, Ripercol, Citarin, Nilverm, Tetramisole hydrochloride, Orovermol, Pig Wormer, Spartakon, Ripereol, Solaskil hydrochloride, Citarin (VAN), Prestwick_854, TETRAMISOLE, Bayer 9051, Tetramisol hydrochloride, (.+-.)-Anthelvet, McN JR 8299

Molecular Formula: C11H13ClN2SMolecular Weight: 240.752320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N

• Tetraphenylmethane
IUPAC Name: tri(phenyl)methylbenzene | CAS Registry Number: 630-76-2
Synonyms: Tetraphenyl methane, METHANE, TETRAPHENYL-, EINECS 211-144-0, NSC 43332, NSC43332, BRN 1913557, Benzene, 1,1',1'',1'''-methanetetrayltetrakis-, LS-90365, ST5409956, 1,1',1'',1'''-methanetetrayltetrabenzene, Benzene, 1,1',1'',1'''-methanethetrayltetrakis-, 4-05-00-02741 (Beilstein Handbook Reference), Benzene, 1,1',1'',1'''-methanetetrayltetrakis- (9CI), InChI=1/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20

Molecular Formula: C25H20Molecular Weight: 320.426300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PEQHIRFAKIASBK-UHFFFAOYSA-N

• Tetrathiafulvalene
IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole | CAS Registry Number: 31366-25-3
Synonyms: 183180_ALDRICH, Delta2,2'-Bi-1,3-dithiole, delta-2:2'-Bis(1,3-dithiazole), EINECS 250-593-7, NSC222862, ZINC00032315, 1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-, NSC 222862, ST044478, TTF, 143413-93-8, 56243-32-4, 56481-75-5, 87891-32-5

Molecular Formula: C6H4S4Molecular Weight: 204.355960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FHCPAXDKURNIOZ-UHFFFAOYSA-N

• Thapsigargin
IUPAC Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate | CAS Registry Number: 67526-95-8
Synonyms: thapsigargin, -7-yl ester, THAPSINGARGIN, nchembio.368-comp12, n-7-yl ester (9CI), Lopac0_001262, BSPBio_001501, T9033_SIGMA, CHEBI:251991, MolPort-003-959-790, HMS1989L03, C28H38O12.C7H16, CID446378, LMPR0103410001, Azuleno[4,5-b]furan, octanoic acid deriv., IDI1_033971, NCGC00162381-05, NCGC00162381-06, LS-176600, EU-0101262

Molecular Formula: C34H50O12Molecular Weight: 650.753600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: IXFPJGBNCFXKPI-FSIHEZPISA-N

• Tirofiban
IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid | CAS Registry Number: 144494-65-5
Synonyms: tirofiban, Aggrastat, Tirofiban [BAN:INN], Tirofiban [INN:BAN], HSDB 7323, CHEBI:9605, C22H36N2O5S, CID60947, MK 383, MK-383, DB00775, LS-173214, N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine, C07965, L 700462, L-700462, L-700,462, L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine, (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Molecular Formula: C22H36N2O5SMolecular Weight: 440.596640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: COKMIXFXJJXBQG-NRFANRHFSA-N

• TJ191
IUPAC Name: methyl 2-amino-5-heptylthiophene-3-carboxylate | CAS Registry Number: 1522415-97-9
Synonyms: methyl 2-amino-5-heptylthiophene-3-carboxylate, starbld0001638, CHEMBL4095188, EX-A4611, HY-120075, CS-0069439

Molecular Formula: C13H21NO2SMolecular Weight: 255.380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HUFNXSPJUAHQHP-UHFFFAOYSA-N

• TL02-59
IUPAC Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide | CAS Registry Number: 1315330-17-6
Synonyms: SCHEMBL14690143, MFCD29991221, 3-(6,7-Dimethoxyquinazolin-4-yloxy)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methylbenzamide

Molecular Formula: C32H34F3N5O4Molecular Weight: 609.600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: AMHWQBGAKJESFB-UHFFFAOYSA-N

• trans-ACPD
IUPAC Name: (1R,3R)-1-aminocyclopentane-1,3-dicarboxylic acid | CAS Registry Number: 67684-64-4
Synonyms: Lopac-A-155, CHEBI:274073, NSC27386, CID231345, CB 1712, NCGC00015010-01, (1R,3R)-1-Amino-cyclopentane-1,3-dicarboxylic acid, 1-Amino-cyclopentane-1,3-dicarboxylic acid(cis-(1R,3R)-ACPD)

Molecular Formula: C7H11NO4Molecular Weight: 173.166540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YFYNOWXBIBKGHB-CLZZGJSISA-N

• Tri-tert-butylphosphonium tetrafluoroborate
IUPAC Name: tritert-butylphosphane;tetrafluoroborate | CAS Registry Number: 131274-22-1
Synonyms: Tri-tert-butylphosphine tetrafluoroborate, AG-D-63494, ACMC-209bla, KSC174C2R, CTK0H4128, ANW-19292, SBB071343, AKOS015911874, tritert-butylphosphane tetrafluoroborate, tritert-butylphosphine tetrafluoroborate, KB-81348, A806233, I14-3729

Molecular Formula: C12H27BF4P-Molecular Weight: 289.121155 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YTJUCJAUJCXFTN-UHFFFAOYSA-N

• Tripterin
IUPAC Name: (2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid | CAS Registry Number: 34157-83-0
Synonyms: celastrol, Tripterine, Spectrum_000335, Spectrum2_000150, Spectrum3_000233, Spectrum4_001966, Spectrum5_000805, BSPBio_001905, Celastrol, Celastrus scandens, KBioGR_002436, KBioSS_000815, SPECTRUM201664, DivK1c_000718, SPBio_000260, NSC70931, KBio1_000718, KBio2_000815, KBio2_003383, KBio2_005951, KBio3_001405

Molecular Formula: C29H38O4Molecular Weight: 450.609620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KQJSQWZMSAGSHN-JJWQIEBTSA-N

• Triptolide
Synonyms: triptolide, Triptolid, Triptolide (9CI), BSPBio_001595, KBioGR_000315, KBioSS_000315, MLS000759410, MLS001424107, PG490, KBio2_000315, KBio2_002883, KBio2_005451, KBio3_000629, KBio3_000630, Bio2_000315, Bio2_000795, NSC 163062, C20H24O6, CID107985, NSC163062

Molecular Formula: C20H24O6Molecular Weight: 360.400960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-N

• Triptonide
Synonyms: Spectrum_001724, SpecPlus_000568, Spectrum2_000477, Spectrum5_001806, KBioSS_002204, DivK1c_006664, SPBio_000614, KBio1_001608, KBio2_002204, KBio2_004772, KBio2_007340, Triptolide, 14-deoxy-14-oxo-, CID65411, NSC165677, NCI60_001273

Molecular Formula: C20H22O6Molecular Weight: 358.385080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SWOVVKGLGOOUKI-ZHGGVEMFSA-N

• Tubastatin A Hydrochloride
IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;hydrochloride | CAS Registry Number: 1310693-92-5
Synonyms: Tubastatin A hydrochloride, Tubastatin A HCl, TSA HCl, 1239262-52-2, cc-256, CS-0498, RL01454, HY-13271, KB-81368, BCP0726000311, X7582, Tubastatin A Hydrochloride|1310693-92-5|TSA HCl, N-hydroxy-4-({2-methyl-1H,3H,4H-pyrido[4,3-b]indol-5-yl}methyl)benzamide hydrochloride, n-hydroxy-4-((1,2,3,4-tetrahydro-2-methyl-5h-pyrido(4,3-b)indol-5-yl)methyl)benzamide hydrochloride

Molecular Formula: C20H22ClN3O2Molecular Weight: 371.860580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LJTSJTWIMOGKRJ-UHFFFAOYSA-N

• Tyrphostin AG30
IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 122520-79-0
Synonyms: Tyrphostin AG 30, Tyrophostin AG 30, AG 30, CHEBI:222565, MolPort-004-308-958, AG-30, HSCI1_000132, alpha-Cyano-(3,4-dihydroxy)cinnamic acid, alpha-Cyano-3,4-dihydroxycinnamic acid, BBV-032857, CID5328793, benzylidenemalononitrile (BMN) deriv. 36, 2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid, 2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid, (E)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid, 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (E)-, 2-propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)-, 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)- (9CI)

Molecular Formula: C10H7NO4Molecular Weight: 205.166880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CJMWBHLWSMKFSM-XVNBXDOJSA-N

• Upamostat
IUPAC Name: ethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate | CAS Registry Number: 590368-25-5
Synonyms: WX-671, Mesupron, GTPL6497, WX 671, KB-81392, 1-Piperazinecarboxylic acid, 4-((2S)-3-(3- ((hydroxyamino)iminomethyl)phenyl)-1-oxo-2-(((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)amino)propyl)-, ethyl ester, ethyl 4-[(2S)-3-{3-[(1E)-[(hydroxyamino)imino]methyl]phenyl}-2-[2,4,6-tris(propan-2-yl)benzenesulfonamido]propanoyl]piperazine-1-carboxylate

Molecular Formula: C32H47N5O6SMolecular Weight: 629.810480 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: CYCFEEXTLQGJEL-XEOXDSMQSA-N

• Urolithin A
IUPAC Name: 3,8-dihydroxybenzo[c]chromen-6-one | CAS Registry Number: 1143-70-0
Synonyms: urolithin A, urolithin B, Sid 728419, CID5488186, 3,8-Dihydroxy-6H-dibenzo(b,d)pyran-6-one, 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-, C026423

Molecular Formula: C13H8O4Molecular Weight: 228.200220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RIUPLDUFZCXCHM-UHFFFAOYSA-N

• Vanadyl Acetylacetonate
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+) | CAS Registry Number: 3153-26-2
Synonyms: Vanadyl acetylacetonate, Vanadium oxyacetoacetonate, Vanadyl bis(acetylacetonate), Bis(acetylacetonato)oxovanadium, Bis(acetylacetonato)oxyvanadium, Oxobis(acetylacetonato)vanadium, Vanadyl bis(2,4-pentanedionate), Oxobis(acetylacetonato)vanadium IV, Oxobis(2,4-pentanedionato)vanadium, NSC 4659, EINECS 221-590-8, NSC 52327, NSC 116105, Bis(2,4-pentanedionato)oxovanadium(iv), Oxobis(pentane-2,4-dionato-O,O')vanadium, Vanadium, oxobis(2,4-pentanedionato)- (8CI), Vanadium, oxobis(2,4-pentanedionato-kappaO,kappaO')-, (SP-5-21)-, Vanadium, oxobis(2,4-pentanedionato-O,O')-, (SP-5-21)- (9CI), 58271-97-9, 13930-95-5

Molecular Formula: C10H14O5VMolecular Weight: 265.156660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JFHJZWAQYMGNBE-SUKNRPLKSA-L

• Vancomycin hydrochloride
Synonyms: Prestwick_816, VANCOMYCIN HYDROCHLORIDE, V8138_SIAL, EU-0101267, Vancomycin hydrochloride from Streptomyces orientalis

Molecular Formula: C66H76Cl3N9O24Molecular Weight: 1485.714540 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 26

InChIKey: LCTORFDMHNKUSG-XTTLPDOESA-N

• Verbascoside
IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 61276-17-3
Synonyms: Acteoside, Kusaginin, MLS002473233, TJC 160, AIDS030638, NSC 603831, AIDS-030638, C29H36O15, NSC603831, CID5281800, LS-71509, SMR001397320, C10501, (B864379), Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-, .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate], 22323-52-0, 27625-92-9, Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-,4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-

Molecular Formula: C29H36O15Molecular Weight: 624.587140 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 15

InChIKey: FBSKJMQYURKNSU-ZLSOWSIRSA-N

• Verteporfin
Synonyms: Visudyne, Visudyne (TN), VERTEPORFIN, Verteporfin (JAN/USAN/INN), NCGC00017148-01, CAS-129497-78-5, D01162

Molecular Formula: C82H84N8O16Molecular Weight: 1437.588360 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 24

InChIKey: NJLRKAMQPVVOIU-IDLGWYNRSA-N

• Vicriviroc maleate
IUPAC Name: (Z)-but-2-enedioic acid; (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone | CAS Registry Number: 599179-03-0
Synonyms: SCH-D, Vicriviroc maleate (USAN), UNII-EP3QG127N9, Sch 417690, MolPort-005-933-298, AC-820, CID6451165, D06297

Molecular Formula: C32H42F3N5O6Molecular Weight: 649.700990 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: GXINKQQWHLIBJA-UCIBKFKQSA-N

• VTX-27
IUPAC Name: (2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl]piperazin-2-yl]-3-methylbutan-2-ol | CAS Registry Number: 1321924-70-2
Synonyms: CHEMBL2326002, C20H24ClFN6O, SCHEMBL799902, SYN1206, MolPort-039-062-176, BDBM50427363, ZINC95585814

Molecular Formula: C20H24ClFN6OMolecular Weight: 418.895563 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: HXWARSZQGAFXJM-MGPUTAFESA-N

• XP-59
IUPAC Name: benzotriazol-1-yl 4-(dimethylamino)benzoate | CAS Registry Number: 890402-73-0
Synonyms: benzotriazol-1-yl 4-(dimethylamino)benzoate, Benzotriazole ester, 4, BDBM59238, EX-A4043, HY-136284, CS-0127587, 4-[(1h-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline

Molecular Formula: C15H14N4O2Molecular Weight: 282.300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UOITWBIZHQLMTH-UHFFFAOYSA-N

• Y-27632
IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide | CAS Registry Number: 146986-50-7
Synonyms: 2etr, 2gnf, 2gnj, 1q8t, BiomolKI_000071, BiomolKI2_000075, Y-27632 dihydrochloride, CBiol_001962, BSPBio_001234, KBioGR_000574, KBioSS_000574, KBio2_000574, KBio2_003142, KBio2_005710, KBio3_001027, KBio3_001028, CHEBI:150239, Bio1_000248, Bio1_000737, Bio1_001226

Molecular Formula: C14H21N3OMolecular Weight: 247.336040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IYOZTVGMEWJPKR-VOMCLLRMSA-N

• Yatein
IUPAC Name: (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | CAS Registry Number: 40456-50-6
Synonyms: (-)-yatein, Dihydroanhydropodorhizol, (-)-deoxypodorhizone, AC1L9DHE, SureCN1037807, CHEMBL471067, CHEBI:542461, DNC009498, RD4-6277, C10557, (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-((3,4,5-trimethoxyphenyl)methyl)-, trans-(-)-, 2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-

Molecular Formula: C22H24O7Molecular Weight: 400.421760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: GMLDZDDTZKXJLU-JKSUJKDBSA-N

• zapnometinib
IUPAC Name: 2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoic acid | CAS Registry Number: 303175-44-2
Synonyms: 2-(2-chloro-4-iodophenylamino)-3,4-difluorobenzoic acid, SureCN1488782, CHEMBL481949, CTK1C0471, AG-E-99770, KB-220861, FT-0664738, PD-0184264, 2-[(2-Chloro-4-iodophenyl)amino]-3,4-difluoro-benzoic Acid, Benzoic acid, 2-[(2-chloro-4-iodophenyl)amino]-3,4-difluoro-

Molecular Formula: C13H7ClF2INO2Molecular Weight: 409.554456 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XCNBGWKQXRQKSA-UHFFFAOYSA-N

• Zingiberene
IUPAC Name: (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene | CAS Registry Number: 495-60-3
Synonyms: alpha-Zingiberene, CID92776, EINECS 207-804-2, LMPR0103060002, C09750, (S-(R*,S*))-5-(1,5-Dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene, 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (S-(R*,S*))-

Molecular Formula: C15H24Molecular Weight: 204.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KKOXKGNSUHTUBV-LSDHHAIUSA-N

• (+)-JQ1 PA
IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-prop-2-ynylacetamide | CAS Registry Number: 2115701-93-2
Synonyms: HY-112789, CS-0064464

Molecular Formula: C22H20ClN5OSMolecular Weight: 437.900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZLSCJWMPQYKVKU-KRWDZBQOSA-N

• (+)-TAXIFOLIN
IUPAC Name: (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | CAS Registry Number: 17654-26-1
Synonyms: dihydroquercetin, Taxifoliol, Distylin, Catechin hydrate, Quercetin, dihydro-, TAXIFOLIN, 2,3-Dihydroquercetin, (2R,3R)-Dihydroquercetin, CCRIS 9292, EINECS 207-543-4, 3,3',4',5,7-Pentahydroxyflavanone, C15H12O7, CID10185, BRN 0093548, 3,5,7,3',4'-Pentahydroxyflavanone, Flavanone, 3,3',4',5,7-pentahydroxy-, NCGC00163631-01, LS-68937, Flavone, 2,3-dihydro-3,3',4',5,7-pentahydroxy-, 5-18-05-00451 (Beilstein Handbook Reference)

Molecular Formula: C15H12O7Molecular Weight: 304.251580 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: CXQWRCVTCMQVQX-YSSOQSIOSA-N

• (-)-Aspartic acid
IUPAC Name: (2R)-2-aminobutanedioic acid | CAS Registry Number: 1783-96-6
Synonyms: D-Aspartic acid, D-Aspartate, aspartic acid, aspartate, L-aspartic acid, L-aspartate, Aspartic acid D-form, D-Asparaginsaeure, (R)-Aspartic acid, Aspartic acid, D-, Tocris-0213, (R)-2-aminosuccinic acid, Lopac-A-9256, (S)-Aminobutanedioic acid, Biomol-NT_000167, (R)-2-aminobutanedioic acid, (2R)-2-aminobutanedioic acid, 219096_ALDRICH, BPBio1_001126, CHEBI:17364

Molecular Formula: C4H7NO4Molecular Weight: 133.102680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N

• (-)-Epigallocatechin
IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 970-74-1
Synonyms: Epigallocatechin, Epigallocatechol, L-Epigallocatechin, Gallocatechin, Gallocatechol, epi-Gallocatechin, l-Epigallocatechol, Antiscurvy factor C2, (-)-Epigallocatechol, Factor C2 (antiscurvy), nchembio.246-comp3, Spectrum_000806, SpecPlus_000269, Spectrum2_000703, Spectrum3_000248, Spectrum4_000950, Spectrum5_000889, 2,3-cis-epigallocatechin, Antiscurvy factor C(sub 2), CCRIS 5441

Molecular Formula: C15H14O7Molecular Weight: 306.267460 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N

• (-)-Epigallocatechin Gallate
IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 989-51-5
Synonyms: EGCG, Tea catechin, Epigallocatechin gallate, Teavigo, Epigallocatechin 3-gallate, Catechin deriv., EGCG cpd, (-)-Epigallocatechin gallate, Green tea extract, Epigallocatechin-3-gallate, Ambap721, epigallo-catechin gallate, Spectrum_000316, SpecPlus_000277, Spectrum2_000168, Spectrum3_000244, Spectrum4_001541, Spectrum5_000102, Galloyl-L-epigallocatechol, (-)-Epigallocatechol gallate

Molecular Formula: C22H18O11Molecular Weight: 458.371720 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

• (-)-Huperzine A
Synonyms: Huperzine A, Huperzine, Fordine, ()-Selagine, ()-Huperzine A, (+)-Huperzine A, H5777_SIGMA, C15H18N2O, NCGC00159362-02, NCGC00163246-01, NCGC00163246-02, LS-90741, LS-90742, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R-(5-alpha,9-beta,11E))-, 103735-86-0

Molecular Formula: C15H18N2OMolecular Weight: 242.316220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZRJBHWIHUMBLCN-QDEBKDIKSA-N

• (-)-Perillaldehyde
IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde | CAS Registry Number: 18031-40-8
Synonyms: Perillyl aldehyde, (-)-Perillaaldehyde, S(-)-Perillaldehyde, (S)-(-)-Perillaldehyde, W355704_ALDRICH, 218294_ALDRICH, CHEBI:546318, (S)-p-Mentha-1,8-dien-7-al, BB_NC-0306, STK801847, ZINC01529472, CID2724159, (S)-4-Isopropenyl-cyclohexene-1-carboxaldehyde, (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde, InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RUMOYJJNUMEFDD-SNVBAGLBSA-N

• (1,2-Dioxoethylene)bis(iminoethylene) Bis(3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)propionate)
IUPAC Name: 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate | CAS Registry Number: 70331-94-1
Synonyms: Naugard XL-1, CID93405, EINECS 274-572-7, (1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate), Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-((1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)) ester

Molecular Formula: C40H60N2O8Molecular Weight: 696.913000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: OXWDLAHVJDUQJM-UHFFFAOYSA-N

• (20R)-Ginsenoside Rg3
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(10R,12S,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 38243-03-7

Molecular Formula: C42H72O13Molecular Weight: 785.013280 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 13

InChIKey: VOWJAFYNABYJKY-LXEHJHAYSA-N


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