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Benzothiazepines

Description:

Organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzothiazepines

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  1. Aladorian
    Aladorian
    CAS: 865433-00-7 PubChem CID: 11161474 Formula: C12H13NO4S Molecular Weight: 267.3
    ≥99%
    Out of Stock Item #: A1044174
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    Technical Identifiers
    IUPAC Name
    2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid
    SMILES
    COC1=CC2=C(C=C1)SCCN(C2)C(=O)C(=O)O
    InChIKey
    FPWBHFYYVSNIFZ-UHFFFAOYSA-N
    InChI
    1S/C12H13NO4S/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)
  2. 11-Chloro-dibenzo[b,f][1,4]thiazepine
    11-Chloro-dibenzo[b,f][1,4]thiazepine
    CAS: 13745-86-3 EC Number: 604-020-6 Formula: C13H8ClNS Molecular Weight: 245.73
    Solid ≥95%
    Out of Stock Item #: C724865
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    Technical Identifiers
    IUPAC Name
    6-chlorobenzo[b][1,4]benzothiazepine
    SMILES
    C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)Cl
    InChIKey
    ZFOZNNFYECYUQB-UHFFFAOYSA-N
    InChI
    1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
    Synonyms
    11-Chlorodibenzo[b,f][1,4]thiazepine
  3. 7-Methoxy-2，3，4，5-tetrahydrobenzo[f][1，4]thiazepine
    7-Methoxy-2，3，4，5-tetrahydrobenzo[f][1，4]thiazepine
    CAS: 145903-31-7 PubChem CID: 11805628 Formula: C10H13NOS Molecular Weight: 195.28
    ≥95%
    Out of Stock Item #: M726303
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    Technical Identifiers
    IUPAC Name
    7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
    SMILES
    COC1=CC2=C(C=C1)SCCNC2
    InChIKey
    VXSSDKLUAZVADY-UHFFFAOYSA-N
    InChI
    1S/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3
  4. no_selection
    [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;2-hydroxybutanedioic acid
    Formula: C26H32N2O9S Molecular Weight: 548.6
    Out of Stock Item #: S670973
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    Technical Identifiers
    IUPAC Name
    [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;2-hydroxybutanedioic acid
    SMILES
    CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(C(C(=O)O)O)C(=O)O
    InChIKey
    IUSFTUWHKCSCDY-BHDTVMLSSA-N
    InChI
    1S/C22H26N2O4S.C4H6O5/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1show more
    Synonyms
    SCHEMBL120772 | CHEMBL1200805
  5. 7-Methoxy-3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one
    7-Methoxy-3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one
    CAS: 145903-32-8 PubChem CID: 11287261 Formula: C10H11NO2S Molecular Weight: 209.27
    Out of Stock Item #: M669130
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    Technical Identifiers
    IUPAC Name
    7-methoxy-3,4-dihydro-2H-1,4-benzothiazepin-5-one
    SMILES
    COC1=CC2=C(C=C1)SCCNC2=O
    InChIKey
    GYYTWZZEOQZZDK-UHFFFAOYSA-N
    InChI
    1S/C10H11NO2S/c1-13-7-2-3-9-8(6-7)10(12)11-4-5-14-9/h2-3,6H,4-5H2,1H3,(H,11,12)
    Synonyms
    7-Methoxy-3,4-dihydrobenzo[f][1,4]thiazepin-5(2H)-one | 3,4-dihydro-7-methoxybenzo[f][1,4]thiazepin-5(2H)-one | 7-MET...
  6. 2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
    2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
    CAS: 58980-39-5 PubChem CID: 12269106 Formula: C9H11NS Molecular Weight: 165.26
    Out of Stock Item #: T669179
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    Technical Identifiers
    IUPAC Name
    2,3,4,5-tetrahydro-1,4-benzothiazepine
    SMILES
    C1CSC2=CC=CC=C2CN1
    InChIKey
    SUBDEKBXSIKCSA-UHFFFAOYSA-N
    InChI
    1S/C9H11NS/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10H,5-7H2
    Synonyms
    2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine | 2,3,4,5-tetrahydro-1,4-benzothiazepine | 6,7,8,9-Tetrahydro-5-thia-8-aza-...
  8. Ziresovir
    Ziresovir
    CAS: 1422500-60-4 PubChem CID: 71262247 Formula: C22H25N5O3S Molecular Weight: 439.53
    ≥95%
    Out of Stock Item #: Z649795
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    Technical Identifiers
    IUPAC Name
    N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1\u03bb6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
    SMILES
    CC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4
    InChIKey
    GAAICKUTDBZCMT-UHFFFAOYSA-N
    InChI
    1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,2show more
    Synonyms
    4-(4-(((3-Aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydro-1H-1lambda6,4-benzothiazepine-1,...
  9. Linerixibat
    Linerixibat
    CAS: 1345982-69-5 PubChem CID: 53492727 Formula: C28H38N2O7S Molecular Weight: 546.68
    ≥99%
    Out of Stock Item #: L648859
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    Technical Identifiers
    IUPAC Name
    3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1\u03bb6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
    SMILES
    CCCCC1(CS(=O)(=O)C2=C(C=C(C(=C2)CNC(CC(=O)O)CC(=O)O)OC)C(N1)C3=CC=CC=C3)CC
    InChIKey
    CZGVOBIGEBDYTP-VSGBNLITSA-N
    InChI
    1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29show more
    Synonyms
    1-(2,5-Dimethoxy-phenylazo)-2-naphthol | GSK 2330672 | Pentanedioic acid, 3-[[[(3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrah...
  10. 3,4-dihydro-2H-1,4-benzothiazepin-5-one
    3,4-dihydro-2H-1,4-benzothiazepin-5-one
    CAS: 14944-00-4 EC Number: 829-655-8 PubChem CID: 5227098 Formula: C9H9NOS Molecular Weight: 179.24
    ≥97%
    Out of Stock Item #: D629428
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    Technical Identifiers
    IUPAC Name
    3,4-dihydro-2H-1,4-benzothiazepin-5-one
    SMILES
    C1CSC2=CC=CC=C2C(=O)N1
    InChIKey
    FSBGEQZKWJSKIW-UHFFFAOYSA-N
    InChI
    1S/C9H9NOS/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
    Synonyms
    2,3,4,5-TETRAHYDRO-1,4-BENZOTHIAZEPIN-5-ONE | SY139713 | FSBGEQZKWJSKIW-UHFFFAOYSA-N | Z1255372525 | 2,3-Dihydro-1,4-...
  11. [³H](+)-cis-diltiazem - , used for , CAS No. H614134, by Aladdin Scientific
    [³H](+)-cis-diltiazem
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: H614134
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    Technical Identifiers
    IUPAC Name
    [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
    SMILES
    COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C
    InChIKey
    HSUGRBWQSSZJOP-UHFFFAOYSA-N
    InChI
    1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3
    Synonyms
    BRD-A69636825-003-02-1 | Q27156381 | GTPL2512 | MLS006012029 | BCP32159 | KBioGR_001844 | Spectrum2_001736 | NCGC0001...
  12. no_selection
    ML321
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: M611946
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    Technical Identifiers
    IUPAC Name
    (11S)-5-methyl-6,11-dioxo-N-(2-thiophen-2-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
    SMILES
    O=C(c1ccc2c(c1)N(C)C(=O)c1c([S@@]2=O)cccc1)NCCc1cccs1
    InChIKey
    YXLLQNMKIDBOGH-NDEPHWFRSA-N
    InChI
    1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1
    Synonyms
    compound 65
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