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  1. Retaspimycin
    Cas Number: 857402-23-4
    Formula:  C31H45N3O8        Molecular Weight: 587.7
    IUPAC Name:  [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(show more
    SMILES:  CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC
    InChIKey: OAKGNIRUXAZDQF-TXHRRWQRSA-N
    InChI:  InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,show more
    Synonyms: D09375 | IPI-504 | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-...
  2. Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
    Cas Number: 10540-29-1        EC Number: 234-118-0
    Formula:  C26H29NO        Molecular Weight: 371.51
    IUPAC Name:  2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
    SMILES:  CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N
    InChI:  InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
    Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
  3. Tamoxifen-ethyl-d5
    Cas Number: 157698-32-3
    Formula:  C26H24D5NO        Molecular Weight: 376.55
    IUPAC Name:  N,N-dimethyl-2-[4-[(Z)-3,3,4,4,4-pentadeuterio-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
    SMILES:  CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: NKANXQFJJICGDU-FUYVPVGLSA-N
    InChI:  InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-/i1D3,4D2
    Synonyms: J-009441 | (E/Z)-Tamoxifen-d5 | AKOS040739817 | MS-26118 | (Z)-2-(4-(1,2-Diphenyl-1-butenyl-3,3,4,4,4-d5)phenoxy)-N,N...
  4. Rocaglamide
      Grade & Purity: 
    • ≥98%
    Cas Number: 84573-16-0        Compound CID:  331783
    Formula:  C29H31NO7        Molecular Weight: 505.57
    IUPAC Name:  (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
    SMILES:  CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
    InChIKey: DAPAQENNNINUPW-IDAMAFBJSA-N
    InChI:  InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,2show more
    Synonyms: FRG4N852F7 | B603847K064 | NSC326408 | Rocaglamide | 1H-Cyclopenta(b)benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1...
  5. (R)-(−)-Falcarinol
    Cas Number: 21852-80-2        Compound CID:  5281149
    Formula:  C17H24O        Molecular Weight: 244.37
    IUPAC Name:  (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
    SMILES:  CCCCCCCC=CCC#CC#CC(C=C)O
    InChIKey: UGJAEDFOKNAMQD-QXPKXGMISA-N
    InChI:  InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
    Synonyms: FALCARINOL [HSDB] | Q413192 | BDBM50573712 | CS-0016901 | (R,Z)-Heptadeca-1,9-dien-4,6-diyn-3-ol | MS-23462 | 1,9-Hep...
  6. Neoantimycin
      Grade & Purity: 
    • ≥95%
    Cas Number: 22862-63-1
    Formula:  C36H46N2O12        Molecular Weight: 698.76
    IUPAC Name:  N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-hydroxybenzshow more
    SMILES:  CCC(C)C1C(=O)OC(C(C(=O)OC(C(=O)OC(C(C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)O)C
    InChIKey: JIJATTFJYJZEBT-UHFFFAOYSA-N
    InChI:  InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(show more
    Synonyms: 1,4,8,11-Tetraoxacyclopentadecane, neoantimycin deriv. | 3-(Formylamino)-2-hydroxy-N-[(3S,6S,7R,10S,14R,15R)-14-hydro...
  7. Palmitic acid-1-(¹³C)
      Grade & Purity: 
    • ≥99 atom% 13C
    Cas Number: 57677-53-9
    Formula:  (13C)C15H32O2        Molecular Weight: 257.42
    IUPAC Name:  (113C)hexadecanoic acid
    SMILES:  CCCCCCCCCCCCCCCC(=O)O
    InChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-N
    InChI:  InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
    Synonyms: 2QQO35IYD7 | D78975 | HEXADECANOICACID-1-¹³C | Palmitic acid-1-(¹³-C) | DTXSID40432301 | HY-N0830S3 | starbld0016623 ...
  8. Liriodendrin
      Grade & Purity: 
    • ≥85%
    Cas Number: 573-44-4
    Formula:  C34H46O18        Molecular Weight: 742.72
    IUPAC Name:  2-[4-[6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6show more
    SMILES:  COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC
    InChIKey: FFDULTAFAQRACT-UHFFFAOYSA-N
    InChI:  InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-3show more
    Synonyms: Eleutheroside E|Liriodendrin|Eleutheroside D|39432-56-9|573-44-4|Acanthoside D|2-[4-[6-[3,5-dimethoxy-4-[3,4,5-trihyd...
  9. TRC 051384
      Grade & Purity: 
    • ≥97%
    Cas Number: 867164-40-7        Compound CID:  11634093
    Formula:  C25H31N5O4        Molecular Weight: 465.54
    IUPAC Name:  1-(2-morpholin-4-ylethyl)-3-[4-[(E)-3-(6-morpholin-4-ylpyridin-2-yl)prop-2-enoyl]phenyl]urea
    SMILES:  C1COCCN1CCNC(=O)NC2=CC=C(C=C2)C(=O)C=CC3=NC(=CC=C3)N4CCOCC4
    InChIKey: SQTSPANZQDCPLB-CMDGGOBGSA-N
    InChI:  InChI=1S/C25H31N5O4/c31-23(9-8-21-2-1-3-24(27-21)30-14-18-34-19-15-30)20-4-6-22(7-5-20)28-25(32)26-10-11-29-12-16-33-17-13-29/h1-9H,10-19H2,(H2,26,28,show more
    Synonyms: N-[2-(4-Morpholinyl)ethyl]-N'-[4-[3-[6-(4-morpholinyl)-2-pyridinyl]-1-oxo-2-propen-1-yl]phenyl]urea | (Z)-N'-(2-morph...
  10. Geldanamycin from Streptomyces hygroscopicus, Inhibitor of heat shock protein 90 alpha family class B member 1
    Cas Number: 30562-34-6        EC Number: 805-356-8
    Formula:  C29H40N2O9        Molecular Weight: 560.64
    IUPAC Name:  [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentshow more
    SMILES:  CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC
    InChIKey: QTQAWLPCGQOSGP-KSRBKZBZSA-N
    InChI:  InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,show more
    Synonyms: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16....
  11. Novobiocin Sodium
      Grade & Purity: 
    • ≥95%
    Cas Number: 1476-53-5        EC Number: 216-023-6        Compound CID:  54730021
    Formula:  C31H35N2NaO11        Molecular Weight: 634.61
    IUPAC Name:  sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenoshow more
    SMILES:  CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)[O-])CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Na+]
    InChIKey: WWPRGAYLRGSOSU-UHFFFAOYSA-M
    InChI:  InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(show more
    Synonyms: EN300-123645 | HMS3656A08 | AS-57689 | Novobiocin (Sodium) | Albamycin;Cathomycin | HMS3374H11 | AKOS037645151 | Alba...
  12. Benzbromarone
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 3562-84-3        EC Number: 222-630-7
    Formula:  C17H12Br2O3        Molecular Weight: 424.08
    IUPAC Name:  (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
    SMILES:  CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
    InChIKey: WHQCHUCQKNIQEC-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
    Synonyms: MJ 10061 | Prestwick3_000370 | SPBio_002420 | CPD000058310 | NCGC00013895-08 | Prestwick0_000370 | 3,5-Dibromo-4-hydr...
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