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Compound Libraries

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  1. SKF 83959 hydrobromide
    Cas Number: 67287-95-0
    Formula:  C18H21BrClNO2        Molecular Weight: 398.73
    IUPAC Name:  9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide
    SMILES:  CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br
    InChIKey: FHYWNBUFNGHNCP-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H20ClNO2.BrH/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19;/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3;1H
    Synonyms: EU-0101067 | MLS002153381 | SR-01000076126-2 | 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-m...
  2. Naltrindole hydrochloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 111469-81-9
    Formula:  C26H26N2O3 · HCl        Molecular Weight: 450.96
    IUPAC Name:  (1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-show more
    SMILES:  C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6.Cl
    InChIKey: KNJKRQXCFJCQHC-IDRHMUJXSA-N
    InChI:  InChI=1S/C26H26N2O3.ClH/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;/h1-4,7-8,14,20,2show more
    Synonyms: Naltrindole hydrochloride, solid | Naltrindole HCl | 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol,...
  3. Etifoxine(HOE 36-801), GABA-A receptor; anion channel antagonist
    Cas Number: 21715-46-8        Compound CID:  135413553
    Formula:  C17H17ClN2O        Molecular Weight: 300.78
    IUPAC Name:  6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine
    SMILES:  CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
    InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
    Synonyms: MRF-0000029 | Etifoxine [INN:BAN:DCF] | SR-01000945088-1 | BRN 0548223 | Etifoxin | UNII-X24X82MX4X | Etifoxinum [INN...
  4. Tradipitant, Neurokinin 1 receptor antagonist
    Cas Number: 622370-35-8        Compound CID:  9916461
    Formula:  C28H16ClF6N5O        Molecular Weight: 587.903
    IUPAC Name:  [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone
    SMILES:  C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
    InChIKey: CAVRKWRKTNINFF-UHFFFAOYSA-N
    InChI:  InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)show more
    Synonyms: NY0COC51FI | STL564766 | {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-pyridin-3-yl}-...
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