Harmala alkaloids

Description:

Compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

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  1. ethyl 9H-pyrido[3,4-b]indole-1-carboxylate
    CAS: 72755-19-2 PubChem CID: 11701473
    Out of Stock Item #: E1323236
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    IUPAC Name
    ethyl 9H-pyrido[3,4-b]indole-1-carboxylate
    SMILES
    CCOC(=O)C1=NC=CC2=C1NC3=CC=CC=C23
    InChIKey
    CFXOOHNXLDSCHT-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
  2. 1-(3-((4-(2-Fluorophenyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
    CAS: 874374-25-1 PubChem CID: 3978027 Formula: C30H31FN4O3 Molecular Weight: 514.6
    Out of Stock Item #: F1046184
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    IUPAC Name
    1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
    SMILES
    COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
    InChIKey
    FUHCEERDBRGPQZ-UHFFFAOYSA-N
    InChI
    1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25show more
  3. Leptaflorine
    CAS: 17019-01-1 PubChem CID: 159809 Formula: C13H16N2O Molecular Weight: 216.29
    Out of Stock Item #: L1070879
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    IUPAC Name
    7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
    SMILES
    CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)OC
    InChIKey
    ZXLDQJLIBNPEFJ-UHFFFAOYSA-N
    InChI
    1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3
  4. (1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
    CAS: 1679333-73-3 PubChem CID: 987146
    Out of Stock Item #: R990918
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    IUPAC Name
    (1R,3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
    SMILES
    C1C(NC(C2=C1C3=CC=CC=C3N2)C4=C(C=C(C=C4)Cl)Cl)C(=O)O
    InChIKey
    ZJDRIKAAFJMYGX-JKSUJKDBSA-N
    InChI
    1S/C18H14Cl2N2O2/c19-9-5-6-11(13(20)7-9)16-17-12(8-15(22-16)18(23)24)10-3-1-2-4-14(10)21-17/h1-7,15-16,21-22H,8H2,(H,23,24)/t15-,16+/m0/s1
  5. PDI inhibitor 16F16
    CAS: 922507-80-0 PubChem CID: 4555562 Formula: C16H17ClN2O3 Molecular Weight: 320.77
    Solid ≥98%(HPLC)
    Out of Stock Item #: P769228
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    IUPAC Name
    methyl 2-(2-chloroacetyl)-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate
    SMILES
    CC1(C2=C(CCN1C(=O)CCl)C3=CC=CC=C3N2)C(=O)OC
    InChIKey
    BCSIRYFYAKLJDK-UHFFFAOYSA-N
    InChI
    1S/C16H17ClN2O3/c1-16(15(21)22-2)14-11(7-8-19(16)13(20)9-17)10-5-3-4-6-12(10)18-14/h3-6,18H,7-9H2,1-2H3
  6. β-Carboline-1-propanoic acid
    CAS: 89915-39-9 PubChem CID: 5375436 Formula: C14H12N2O2 Molecular Weight: 240.26
    Solid ≥98%
    Out of Stock Item #: C709725
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    IUPAC Name
    3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
    SMILES
    C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
    InChIKey
    CNUHEVWYPKFJHH-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
    Synonyms
    3-(9H-Pyrido[3,4-b]indol-1-yl)propanoic acid | Beta-Carboline-1-propanoic acid
  7. Methyl 1-Methyl-9H-Pyrido[3,4-b]Indole-3-Carboxylate
    CAS: 16641-82-0 PubChem CID: 5291723
    Out of Stock Item #: M709595
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    Technical Identifiers
    IUPAC Name
    methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
    SMILES
    CC1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2
    InChIKey
    LIAUJQLOCLVMMH-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
  8. Harman hydrochloride
    CAS: 21655-84-5 Formula: C12H10N2 Molecular Weight: 182.22
    Out of Stock Item #: H709548
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    Technical Identifiers
    IUPAC Name
    1-methyl-9H-pyrido[3,4-b]indole
    SMILES
    CC1=NC=CC2=C1NC3=CC=CC=C23
    InChIKey
    PSFDQSOCUJVVGF-UHFFFAOYSA-N
    InChI
    1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
  9. 9H-Pyrido[3,4-b]indole-1-carbaldehyde
    CAS: 20127-63-3 PubChem CID: 5317375 Formula: C12H8N2O Molecular Weight: 196.21
    Solid ≥95%
    Out of Stock Item #: H709628
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    Technical Identifiers
    IUPAC Name
    9H-pyrido[3,4-b]indole-1-carbaldehyde
    SMILES
    C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=O
    InChIKey
    CHQBGSRZQLMDEX-UHFFFAOYSA-N
    InChI
    1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
    Synonyms
    1-Formyl-β-carboline
  10. 6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
    CAS: 3589-72-8 EC Number: 986-751-3 Formula: C13H12N2O Molecular Weight: 212.25
    Solid ≥98%
    Out of Stock Item #: M709728
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    Technical Identifiers
    IUPAC Name
    6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
    SMILES
    CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC
    InChIKey
    XYYVPBBISSKKQB-UHFFFAOYSA-N
    InChI
    1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
    Synonyms
    6-Methoxy-1-methyl-9H-pyrido[3,4-b]indole | 6-Methoxy-1-Methyl-9H-$B-Carboline | 6-Methoxy-1-Methyl-9H-$B-Carboline |...
  11. 1-Ethyl-9H-pyrido[3,4-B]indole
    CAS: 20127-61-1 PubChem CID: 5324325 Formula: C13H12N2 Molecular Weight: 196.25
    Solid ≥95%
    Out of Stock Item #: E709659
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    Technical Identifiers
    IUPAC Name
    1-ethyl-9H-pyrido[3,4-b]indole
    SMILES
    CCC1=NC=CC2=C1NC3=CC=CC=C23
    InChIKey
    YTQRHYCHEIXUIU-UHFFFAOYSA-N
    InChI
    1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3
  12. Dehydrocrenatine
    CAS: 26585-13-7 PubChem CID: 179485
    Out of Stock Item #: D696175
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    Technical Identifiers
    IUPAC Name
    1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indole
    SMILES
    COC1=CN=C(C2=C1C3=CC=CC=C3N2)C=C
    InChIKey
    HJVIUZHNRJYUTG-UHFFFAOYSA-N
    InChI
    1S/C14H12N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h3-8,16H,1H2,2H3
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