Benzothiazines

Description:

Organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

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  1. Thioridazine-d3 Hydrochloride
    CAS: 1189928-36-6 Formula: C21H27ClN2S2 Molecular Weight: 410.1
    Out of Stock Item #: T1301306
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    IUPAC Name
    2-methylsulfanyl-10-[2-[1-(trideuteriomethyl)piperidin-2-yl]ethyl]phenothiazine;hydrochloride
    SMILES
    [2H]C([2H])([2H])N1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl
    InChIKey
    NZFNXWQNBYZDAQ-NIIDSAIPSA-N
    InChI
    1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H/i1D3;
  2. 2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethan-1-one
    CAS: 663212-40-6 PubChem CID: 1319471 Formula: C22H18N4O2S2 Molecular Weight: 434.53
    Out of Stock Item #: E1060657
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    IUPAC Name
    2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
    SMILES
    CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CO5
    InChIKey
    ASZRHXKUEMHBKN-UHFFFAOYSA-N
    InChI
    1S/C22H18N4O2S2/c1-2-25-21(17-10-7-13-28-17)23-24-22(25)29-14-20(27)26-15-8-3-5-11-18(15)30-19-12-6-4-9-16(19)26/h3-13H,2,14H2,1H3
  3. Dioxopromethazine
    CAS: 13754-56-8 PubChem CID: 63031 Formula: C17H20N2O2S Molecular Weight: 316.42
    Out of Stock Item #: D1072169
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    IUPAC Name
    1-(5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-2-amine
    SMILES
    CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)N(C)C
    InChIKey
    FDXKCOBAFGSMDJ-UHFFFAOYSA-N
    InChI
    1S/C17H20N2O2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)22(20,21)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
  4. Trifluoperazine N-Glucuronide
    CAS: 165602-90-4 Formula: C27H32F3N3O6S Molecular Weight: 583.6
    Out of Stock Item #: T1259940
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    IUPAC Name
    (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-ium-1-yl]oxane-2-carboxylate
    SMILES
    C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O
    InChIKey
    AFYPHWNGUDUHIW-ARXROMJUSA-N
    InChI
    1S/C27H32F3N3O6S/c1-33(25-23(36)21(34)22(35)24(39-25)26(37)38)13-11-31(12-14-33)9-4-10-32-17-5-2-3-6-19(17)40-20-8-7-16(15-18(20)32)27(28,29)30/h2-3,5show more
  5. Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide
    CAS: 30189-85-6 PubChem CID: 11713505
    Out of Stock Item #: P1287623
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    IUPAC Name
    dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium;bromide
    SMILES
    CCCCN(CCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCC)CCCC)C=C3S2.[Br-]
    InChIKey
    LLMPBOPIZQTTLB-UHFFFAOYSA-M
    InChI
    1S/C28H42N3S.BrH/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4;/h13-16,21-22H,5-12,17-20H2,1-4H3;1Hshow more
  6. Perphenazine sulfoxide
    CAS: 10078-25-8 PubChem CID: 82341 Formula: C21H26ClN3O2S Molecular Weight: 419.97
    Out of Stock Item #: P1339020
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    IUPAC Name
    2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
    SMILES
    C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)CCO
    InChIKey
    WXJXTMQMAOYROI-UHFFFAOYSA-N
    InChI
    1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
  7. Fenoverine
    CAS: 37561-27-6 PubChem CID: 72098 Formula: C26H25N3O3S Molecular Weight: 459.56
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: F1368123
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    IUPAC Name
    2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone
    SMILES
    C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64
    InChIKey
    UBAJTZKNDCEGKL-UHFFFAOYSA-N
    InChI
    1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2
    Synonyms
    2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(10h-phenothiazin-10-yl)ethan-1-one | Spasmopriv
  8. Azure II
    CAS: 37247-10-2 Formula: C16H18N3S · C15H16N3S ·2 Cl Molecular Weight: 625.68
    BR
    Out of Stock Item #: A1372293
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    IUPAC Name
    [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;dichloride
    SMILES
    CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-].[Cl-]
    InChIKey
    YOWZJZJLXUQHGF-UHFFFAOYSA-M
    InChI
    1S/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5show more
    Synonyms
    Methylene Azure II
  9. 3,7-dibromo-10H-phenothiazine
    CAS: 21667-32-3 PubChem CID: 3547115
    Out of Stock Item #: D770707
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    Technical Identifiers
    IUPAC Name
    3,7-dibromo-10H-phenothiazine
    SMILES
    C1=CC2=C(C=C1Br)SC3=C(N2)C=CC(=C3)Br
    InChIKey
    NVORBAXCWWFMSA-UHFFFAOYSA-N
    InChI
    1S/C12H7Br2NS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,15H
  10. 2-Acetyl-10-(3-chloropropyl)phenothiazine
    CAS: 39481-55-5 PubChem CID: 3016079 Formula: C17H16ClNOS Molecular Weight: 317.83
    Out of Stock Item #: A768618
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    Technical Identifiers
    IUPAC Name
    1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone
    SMILES
    CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
    InChIKey
    LSYMJLKGKFWMLP-UHFFFAOYSA-N
    InChI
    1S/C17H16ClNOS/c1-12(20)13-7-8-17-15(11-13)19(10-4-9-18)14-5-2-3-6-16(14)21-17/h2-3,5-8,11H,4,9-10H2,1H3
  11. 10-methyl-10H-phenothiazine 5-oxide
    CAS: 2234-09-5 Formula: C13H11NOS Molecular Weight: 229.2975
    Out of Stock Item #: M770683
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    Technical Identifiers
    SMILES
    CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31
    InChIKey
    LUXDKIVXVUWRQB-UHFFFAOYSA-N
    InChI
    1S/C13H11NOS/c1-14-10-6-2-4-8-12(10)16(15)13-9-5-3-7-11(13)14/h2-9H,1H3
  12. ethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
    CAS: 24683-21-4 PubChem CID: 54678723 Formula: C11H11NO5S Molecular Weight: 269.27
    Out of Stock Item #: E733843
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    Technical Identifiers
    IUPAC Name
    ethyl 4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxylate
    SMILES
    CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O
    InChIKey
    KHQMRIBGVBXDMI-UHFFFAOYSA-N
    InChI
    1S/C11H11NO5S/c1-2-17-11(14)9-10(13)7-5-3-4-6-8(7)18(15,16)12-9/h3-6,12-13H,2H2,1H3
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