Cycloheptathiophenes

Description:

Polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.

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  1. Methyl 2-(perfluorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
    CAS: 420089-51-6 PubChem CID: 1740847 Formula: C18H14F5NO3S Molecular Weight: 419.37
    Out of Stock Item #: M1338522
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    IUPAC Name
    methyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
    SMILES
    COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F
    InChIKey
    AVRWEULSKHQETA-UHFFFAOYSA-N
    InChI
    1S/C18H14F5NO3S/c1-27-18(26)9-7-5-3-2-4-6-8(7)28-17(9)24-16(25)10-11(19)13(21)15(23)14(22)12(10)20/h2-6H2,1H3,(H,24,25)
  2. CID 6509858
    CAS: 98320-39-9 PubChem CID: 6509858
    Out of Stock Item #: C941224
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    IUPAC Name
    (2Z)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid
    SMILES
    COC1=CC2=CC=CC=C2C(=CC(=O)O)C3=C1SC=C3
    InChIKey
    XIKRQPKFOKKGGW-LCYFTJDESA-N
    InChI
    1S/C16H12O3S/c1-19-14-8-10-4-2-3-5-11(10)13(9-15(17)18)12-6-7-20-16(12)14/h2-9H,1H3,(H,17,18)/b13-9-
  3. 9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-one
    CAS: 1622-55-5 PubChem CID: 768492 Formula: C13H10OS Molecular Weight: 214.28
    Out of Stock Item #: D735729
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    IUPAC Name
    6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
    SMILES
    C1CC2=C(C=CS2)C(=O)C3=CC=CC=C31
    InChIKey
    JAGBUENUSNSSFW-UHFFFAOYSA-N
    InChI
    1S/C13H10OS/c14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12/h1-4,7-8H,5-6H2
  4. 2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
    CAS: 315684-12-9 PubChem CID: 3822593 Formula: C12H13ClN2OS Molecular Weight: 268.77
    Out of Stock Item #: C708919
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    IUPAC Name
    2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
    SMILES
    C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCl
    InChIKey
    LFUMGIOQKSBEQA-UHFFFAOYSA-N
    InChI
    1S/C12H13ClN2OS/c13-6-11(16)15-12-9(7-14)8-4-2-1-3-5-10(8)17-12/h1-6H2,(H,15,16)
  5. ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
    CAS: 40106-13-6 PubChem CID: 292644 Formula: C12H17NO2S Molecular Weight: 239.34
    Solid ≥97%
    In Stock Item #: E680075
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    IUPAC Name
    ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
    SMILES
    CCOC(=O)C1=C(SC2=C1CCCCC2)N
    InChIKey
    XTUHIGALMIGZST-UHFFFAOYSA-N
    InChI
    1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3
  6. N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
    CAS: 511282-84-1 PubChem CID: 972733 Formula: C14H15N5OS2 Molecular Weight: 333.4
    Out of Stock Item #: N668586
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    IUPAC Name
    N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
    SMILES
    C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC=NN3
    InChIKey
    XGHUJWTXGMRXEL-UHFFFAOYSA-N
    InChI
    1S/C14H15N5OS2/c15-6-10-9-4-2-1-3-5-11(9)22-13(10)18-12(20)7-21-14-16-8-17-19-14/h8H,1-5,7H2,(H,18,20)(H,16,17,19)
    Synonyms
    MLS000064750 | SMR000077579 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsu...
  7. ethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate
    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 #: E608876
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    Technical Identifiers
    IUPAC Name
    ethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate
    SMILES
    CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1
    InChIKey
    SCIMXCMXGZZKTB-UHFFFAOYSA-N
    InChI
    1S/C17H19NO4S/c1-2-21-17(20)14-11-7-4-3-5-9-13(11)23-16(14)18-15(19)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)
    Synonyms
    BAS 00486818 | compound 1
  8. 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
    CAS: 23917-22-8 EC Number: 835-973-8 Formula: C10H12N2S Molecular Weight: 192.28
    Solid ≥98%
    Out of Stock Item #: A578963
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    IUPAC Name
    2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
    SMILES
    C1CCC2=C(CC1)SC(=C2C#N)N
    InChIKey
    GBQACFCEZPKMTA-UHFFFAOYSA-N
    InChI
    1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
    Synonyms
    2-amino-5,6,7,8-tetrahydro-4h-cyclohepta-[b]thiophene-3-carbonitrile | 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thi...
  9. Pizotifen
    CAS: 15574-96-6 EC Number: 239-632-9 PubChem CID: 27400 Formula: C19H21NS Molecular Weight: 295.44
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: P421855
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    IUPAC Name
    1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
    SMILES
    CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1
    InChIKey
    FIADGNVRKBPQEU-UHFFFAOYSA-N
    InChI
    1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
    Synonyms
    DB06153 | 0BY8440V3N | DTXSID6023490 | Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-m...
  10. 9,10-Dioxo Ketotifen
    CAS: 43076-16-0 Formula: C19H17NO2S Molecular Weight: 323.41
    In Stock Item #: D345710
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    Technical Identifiers
    IUPAC Name
    2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8,9-dione
    SMILES
    CN1CCC(=C2C3=C(C(=O)C(=O)C4=CC=CC=C42)SC=C3)CC1
    InChIKey
    SEWPKRUDHMXTMH-UHFFFAOYSA-N
    InChI
    1S/C19H17NO2S/c1-20-9-6-12(7-10-20)16-13-4-2-3-5-14(13)17(21)18(22)19-15(16)8-11-23-19/h2-5,8,11H,6-7,9-10H2,1H3
    Synonyms
    DTXSID80314399 | FT-0667634 | 4-(1-Methylpiperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione | 4-...
  11. 10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
    CAS: 59743-84-9 EC Number: 611-873-8 Formula: C14H10O2S Molecular Weight: 242.29
    Solid ≥98%
    Out of Stock Item #: B185472
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    Technical Identifiers
    IUPAC Name
    8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
    SMILES
    COC1=CC2=CC=CC=C2C(=O)C3=C1SC=C3
    InChIKey
    ZSGIVIUNURDDJL-UHFFFAOYSA-N
    InChI
    1S/C14H10O2S/c1-16-12-8-9-4-2-3-5-10(9)13(15)11-6-7-17-14(11)12/h2-8H,1H3
    Synonyms
    AS-17291 | AKOS005067981 | MFCD00101207 | SR-01000632904-1 | ZSGIVIUNURDDJL-UHFFFAOYSA-N | 10-Methoxy-4H-benzo[4,5] c...
  12. Ketotifen Fumarate
    CAS: 34580-14-8 EC Number: 252-100-0 Formula: C19H19NOS·C4H4O4 Molecular Weight: 425.5
    In Stock Item #: K124652
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    Technical Identifiers
    IUPAC Name
    (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
    SMILES
    CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
    InChIKey
    YNQQEYBLVYAWNX-WLHGVMLRSA-N
    InChI
    1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,show more
    Synonyms
    34580-14-8 (fumarate); 34580-13-7 (free base) | Ketotifen fumarate (JP17/USAN) | Ketotifen fumarate (Zaditor) | MLS00...
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