sp_3334_comt-Aladdin Scientific

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Opicapone, Catechol O-methyltransferase inhibitor

Grade & Purity:

Moligand™

≥98%

Cas Number: 923287-50-7

Formula: C₁₅H₁₀Cl₂N₄O₆ Poids moléculaire: 413.17

Nom IUPAC: 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol

SMILES: CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChIKey: ASOADIZOVZTJSR-UHFFFAOYSA-N

InChI: InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3

Synonymes: 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol | compound 3...

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Entacapone, Catechol O-methyltransferase inhibitor

Grade & Purity:

Moligand™

≥98%

Cas Number: 130929-57-6

Formula: C₁₄H₁₅N₃O₅ Poids moléculaire: 305.29

Nom IUPAC: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide

SMILES: CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

InChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-N

InChI: InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

Synonymes: (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide | 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitro...

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Flopropione

Grade & Purity:

≥98%

Cas Number: 2295-58-1

Formula: C₉H₁₀O₄ Poids moléculaire: 182.17

Nom IUPAC: 1-(2,4,6-trihydroxyphenyl)propan-1-one

SMILES: CCC(=O)C1=C(C=C(C=C1O)O)O

InChIKey: PTHLEKANMPKYDB-UHFFFAOYSA-N

InChI: InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3

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U-0521

Grade & Purity:

≥98%

Cas Number: 5466-89-7 Compound CID: 21632

Formula: C₁₀H₁₂O₃ Poids moléculaire: 180.20

Nom IUPAC: 1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one

SMILES: CC(C)C(=O)C1=CC(=C(C=C1)O)O

InChIKey: VDQLKIBLTMPAHI-UHFFFAOYSA-N

InChI: InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3

Synonymes: 3',4'-Dihydroxyisobutyrophenone | CS-0083733 | U 0521 | NSC 27389 | HMS2765J17 | MLS000738074 | 1-(3,4-Dihydroxy-phen...

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, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5

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5-Hydroxytryptamine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5

Grade & Purity:

Moligand™

≥98%(HPLC)

Cas Number: 50-67-9

Formula: C₁₀H₁₂N₂O Poids moléculaire: 176.22

Nom IUPAC: 3-(2-aminoethyl)-1H-indol-5-ol

SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN

InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N

InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

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Rosmarinic acid

Grade & Purity:

≥97%

Cas Number: 20283-92-5 Compound CID: 5281792

Formula: C₁₈H₁₆O₈ Poids moléculaire: 360.31

Nom IUPAC: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

InChI: InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

Synonymes: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...

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Rosmarinic acid

Grade & Purity:

analytical standard

≥97%

Cas Number: 20283-92-5 Compound CID: 5281792

Formula: C₁₈H₁₆O₈ Poids moléculaire: 360.31

Nom IUPAC: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid

SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

InChI: InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

Synonymes: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...

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Serotonin hydrochloride

Grade & Purity:

AR

Cas Number: 153-98-0 Compound CID: 160436

Formula: C₁₀H₁₂N₂O·HCl Poids moléculaire: 212.68

Nom IUPAC: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride

SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

InChI: InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H

Synonymes: 5-HT hydrochloride | CHEBI:181195 | CS-0013171 | SR-01000075577-1 | 5-HT HCl | 5-hydroxy tryptamine hydrochloride | A...

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Tolcapone, Catechol O-methyltransferase inhibitor

Grade & Purity:

Moligand™

≥99%

Cas Number: 134308-13-7 Compound CID: 4659569

Formula: C₁₄H₁₁NO₅ Poids moléculaire: 273.24

Nom IUPAC: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone

SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-N

InChI: InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3

Synonymes: NCGC00181767-02 | 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL | C07949 | TOLCAPONE (USP MONOGRAPH) | N04BX01...

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OR-486

Grade & Purity:

≥98%

Cas Number: 7659-29-2

Formula: C₆H₄N₂O₆ Poids moléculaire: 200.11

Nom IUPAC: 3,5-dinitrobenzene-1,2-diol

SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]

InChIKey: VDCDWNDTNSWDFJ-UHFFFAOYSA-N

InChI: InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H

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(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone

Grade & Purity:

≥98%

Cas Number: 134612-80-9

Formula: C₁₅H₁₃NO₅ Poids moléculaire: 287.27

Nom IUPAC: (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone

SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChIKey: VCNSNEJUGBEWTA-UHFFFAOYSA-N

InChI: InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3

Synonymes: AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371...

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(-)-Gallocatechin gallate (GCG)

Grade & Purity:

analytical standard

Moligand™

Cas Number: 4233-96-9

Formula: C₂₂H₁₈O₁₁ Poids moléculaire: 458.37

Nom IUPAC: [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-NQIIRXRSSA-N

InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+show more

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COMT