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.

Ancestors:

Organic compounds -> Alkaloids and derivatives -> Harmala alkaloids

PDI inhibitor 16F16
- ≥98%(HPLC)
Cas Number: 922507-80-0 Compound CID: 4555562

Formula: C₁₆H₁₇ClN₂O₃ Poids moléculaire: 320.77

Nom IUPAC: 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: 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
Details

Tarification Fermer
β-Carboline-1-propanoic acid
- ≥98%
Cas Number: 89915-39-9 Compound CID: 5375436

Formula: C₁₄H₁₂N₂O₂ Poids moléculaire: 240.26

Nom IUPAC: 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: 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)
Details

Tarification Fermer
Methyl 1-Methyl-9H-Pyrido[3，4-b]Indole-3-Carboxylate
- ≥98%
Cas Number: 16641-82-0 Compound CID: 5291723

Nom IUPAC: 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: 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
Details

Tarification Fermer
Chlorhydrate d'harman
- ≥99%
Cas Number: 21655-84-5

Formula: C₁₂H₁₀N₂ Poids moléculaire: 182.22

Nom IUPAC: 1-methyl-9H-pyrido[3,4-b]indole

SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23

InChIKey: PSFDQSOCUJVVGF-UHFFFAOYSA-N

InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
Details

Tarification Fermer
9H-Pyrido[3，4-b]indole-1-carbaldehyde
- ≥95%
Cas Number: 20127-63-3 Compound CID: 5317375

Formula: C₁₂H₈N₂O Poids moléculaire: 196.21

Nom IUPAC: 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: InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
Details

Tarification Fermer
6-Methoxy-1-Methyl-9H-Pyrido[3，4-B]Indole
- ≥98%
Cas Number: 3589-72-8 Compound CID: 5376026

Nom IUPAC: 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: 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
Details

Tarification Fermer
1-Ethyl-9H-pyrido[3，4-b]indole
- ≥95%
Cas Number: 20127-61-1 Compound CID: 5324325

Formula: C₁₃H₁₂N₂ Poids moléculaire: 196.25

Nom IUPAC: 1-ethyl-9H-pyrido[3,4-b]indole

SMILES: CCC1=NC=CC2=C1NC3=CC=CC=C23

InChIKey: YTQRHYCHEIXUIU-UHFFFAOYSA-N

InChI: 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
Details

Tarification Fermer
Dehydrocrenatine
- ≥98%
Cas Number: 26585-13-7 Compound CID: 179485

Nom IUPAC: 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: 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
Details

Tarification Fermer
2，3，4，9-Tetrahydro-1H-pyrido[3，4-b]indole-1，3-dicarboxylic acid
- ≥95%
Cas Number: 59132-30-8 Compound CID: 151564

Formula: C₁₃H₁₂N₂O₄ Poids moléculaire: 260.24

Nom IUPAC: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1,3-dicarboxylic acid

SMILES: C1C(NC(C2=C1C3=CC=CC=C3N2)C(=O)O)C(=O)O

InChIKey: ZWMZDKZTZLGVRQ-UHFFFAOYSA-N

InChI: InChI=1S/C13H12N2O4/c16-12(17)9-5-7-6-3-1-2-4-8(6)14-10(7)11(15-9)13(18)19/h1-4,9,11,14-15H,5H2,(H,16,17)(H,18,19)
Details

Tarification Fermer
2，3，4，9-tetrahydro-1H-pyrido[3，4-b]indole-1-carboxylic acid
Cas Number: 102991-38-8 Compound CID: 145879

Formula: C₁₂H₁₂N₂O₂ Poids moléculaire: 216.24

Nom IUPAC: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid

SMILES: C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O

InChIKey: XGCIVVYTCDKDLC-UHFFFAOYSA-N

InChI: InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)

Details

Tarification Fermer
1-methyl-2，3，4，9-tetrahydro-1H-beta-carboline
- ≥90%
Cas Number: 2506-10-7 Compound CID: 91522

Formula: C₁₂H₁₄N₂ Poids moléculaire: 186.25

Nom IUPAC: 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

SMILES: CC1C2=C(CCN1)C3=CC=CC=C3N2

InChIKey: LPIJOZBIVDCQTE-UHFFFAOYSA-N

InChI: InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3
Details

Tarification Fermer
NITD-609 Enantiomer
Cas Number: 1193314-24-7 Compound CID: 44251608

Formula: C₁₉H₁₄Cl₂FN₃O Poids moléculaire: 390.2

Nom IUPAC: (3S,3'R)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

SMILES: C[C@@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@]2(N1)C(=O)NC1=C2C=C(Cl)C=C1

InChIKey: CKLPLPZSUQEDRT-YLVJLNSGSA-N

InChI: InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/mshow more

Details

Tarification Fermer

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