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Benzoxadiazoles

Description:

Organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
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  1. [³H](+)-isradipine
    IUPAC Name:  O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES:  COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C
    InChIKey: HMJIYCCIJYRONP-INIZCTEOSA-N
    InChI:  InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1
    Synonyms: (+)-[³H]isradipine | (+)-[³H]O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3...
  2. SZ(+)-(S)-202-791
    Cas Number: 97217-83-9        Compound CID:  5026
    IUPAC Name:  propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
    SMILES:  CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C
    InChIKey: LYFZEFDZKPJBJK-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3
  3. (+)-isradipine
    IUPAC Name:  O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES:  COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C
    InChIKey: HMJIYCCIJYRONP-INIZCTEOSA-N
    InChI:  InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1
    Synonyms: (+)-isradipine | NCGC00016931-01 | O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydr...
  4. 5-Chlorobenzofurazan 3-oxide
      Grade & Purity: 
    • ≥97%
    Cas Number: 39060-31-6
    Formula:  C6H3ClN2O2        Molecular Weight: 170.55
    IUPAC Name:  5-chloro-3-oxido-2,1,3-benzoxadiazol-3-ium
    SMILES:  C1=CC2=NO[N+](=C2C=C1Cl)[O-]
    InChIKey: CVHOKJCSOAHYAJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H3ClN2O2/c7-4-1-2-5-6(3-4)9(10)11-8-5/h1-3H
  5. 5-Methoxybenzofurazan 3-oxide
      Grade & Purity: 
    • ≥99%
    Cas Number: 3524-06-9
    Formula:  C7H6N2O3        Molecular Weight: 166.13
    IUPAC Name:  5-methoxy-3-oxido-2,1,3-benzoxadiazol-3-ium
    SMILES:  COC1=CC2=[N+](ON=C2C=C1)[O-]
    InChIKey: XCWFKHHSXPIDHN-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H6N2O3/c1-11-5-2-3-6-7(4-5)9(10)12-8-6/h2-4H,1H3
    Synonyms: DTXSID20338337 | 5-Methoxybenzofurazan 3-oxide | MLS001049297 | 5-Methoxy-benzo[1,2,5]oxadiazole 3-oxide | 5-Methoxyb...
  6. 2-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-D-glucose
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 186689-07-6(DMSO)
    Formula:  C12H14N4O8        Molecular Weight: 342.26
    IUPAC Name:  (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
    SMILES:  C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NC(C=O)C(C(C(CO)O)O)O
    InChIKey: QUTFFEUUGHUPQC-ILWYWAAHSA-N
    InChI:  InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1
    Synonyms: 2-NBDG|186689-07-6|(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal|(2R,3R,4...
  7. IANBD amide
      Grade & Purity: 
    • ≥98%
    Cas Number: 173485-12-6
    Formula:  C12H14IN5O4        Molecular Weight: 419.18
    IUPAC Name:  2-iodo-N-methyl-N-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide
    SMILES:  CN(CCN(C)C(=O)CI)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
    InChIKey: NIYRYQYZEATYFF-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H14IN5O4/c1-16(5-6-17(2)10(19)7-13)8-3-4-9(18(20)21)12-11(8)14-22-15-12/h3-4H,5-7H2,1-2H3
    Synonyms: AKOS015909072 | EX-A8002 | TQP0979 | IANBD amide | 2-Iodo-N-methyl-N-(2-(methyl(7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)...
  8. DBD-F [=4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole] [for HPLC Labeling]
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 98358-90-8
    Formula:  C8H8FN3O3S        Molecular Weight: 245.23
    IUPAC Name:  7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
    SMILES:  CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)F
    InChIKey: YZWANFXENNWOOR-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3
    Synonyms: 7-Fluoro-4-(N,N-dimethylsulfamoyl)-2,1,3-benzoxadiazole | 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole...
  9. 7-Morpholin-4-yl-benzo[1,2,5]oxadiazol-4-ylamine
    Cas Number: 842964-18-5
    Formula:  C10H12N4O2        Molecular Weight: 220.23
    IUPAC Name:  4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine
    SMILES:  C1COCCN1C2=CC=C(C3=NON=C23)N
    InChIKey: LWCSTSZSZFUHAT-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2
    Synonyms: cid_1095027 | HMS2693M07 | HMS1695O03 | 4-morpholin-4-yl-2,1,3-benzoxadiazol-7-amine | SR-01000324641-1 | SR-01000324...
  10. 7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine
    Cas Number: 842964-23-2        Compound CID:  1095028
    Formula:  C11H14N4O        Molecular Weight: 218.26
    IUPAC Name:  4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
    SMILES:  C1CCN(CC1)C2=CC=C(C3=NON=C23)N
    InChIKey: LTNPOSGMLWWFOH-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2
    Synonyms: SMR000290499 | STK346797 | (7-piperidinobenzofurazan-4-yl)amine | HMS2693M03 | cid_1095028 | VS-02382 | NBF-2 | SCHEM...
  11. 7-(p-Methoxybenzylamino)-4-nitrobenz-2-oxa-1,3-diazole
    Cas Number: 33984-50-8        EC Number: 251-775-9        Compound CID:  99555
    Formula:  C14H12N4O4        Molecular Weight: 300.27
    IUPAC Name:  N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
    SMILES:  COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
    InChIKey: IENONFJSMWUIQQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3
    Synonyms: DTXSID9067805 | 7E78Z5W2PR | 4-Benzofurazanamine, N-((4-methoxyphenyl)methyl)-7-nitro- | Oprea1_067217 | 4-(4-Methoxy...
  12. 6-NBDG
      Grade & Purity: 
    • ≥98%
    Cas Number: 108708-22-1
    Formula:  C12H14N4O8        Molecular Weight: 342.26
    IUPAC Name:  (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
    SMILES:  C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCC(C(C(C(C=O)O)O)O)O
    InChIKey: DEPMSUUWSGUYKQ-IWXIMVSXSA-N
    InChI:  InChI=1S/C12H14N4O8/c17-4-8(19)12(21)11(20)7(18)3-13-5-1-2-6(16(22)23)10-9(5)14-24-15-10/h1-2,4,7-8,11-13,18-21H,3H2/t7-,8+,11-,12-/m1/s1
    Synonyms: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal | Nbd-glucosamine | 6-NBDG | 6-...
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