TAMR Aazide,6-isomer

Catalog Number

ACM1192590898-1

CAS

1192590-89-8

IUPAC Name

4-(3-azidopropylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate

Molecular Weight

512.6

Molecular Formula

C28H28N6O4

Canonical SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCCCN=[N+]=[N-])C(=O)[O-]

InChI

InChI=1S/C28H28N6O4/c1-33(2)18-7-10-21-24(15-18)38-25-16-19(34(3)4)8-11-22(25)26(21)23-14-17(6-9-20(23)28(36)37)27(35)30-12-5-13-31-32-29/h6-11,14-16H,5,12-13H2,1-4H3,(H-,30,35,36,37)

InChI Key

LCCOWUGYZJZMIT-UHFFFAOYSA-N

Purity

0.95

Storage

-20 °C in the dark

• Catalog Number: ACM1192590898-1
• CAS: 1192590-89-8
• IUPAC Name: 4-(3-azidopropylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
• Molecular Weight: 512.6
• Molecular Formula: C28H28N6O4
• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCCCN=[N+]=[N-])C(=O)[O-]
• InChI: InChI=1S/C28H28N6O4/c1-33(2)18-7-10-21-24(15-18)38-25-16-19(34(3)4)8-11-22(25)26(21)23-14-17(6-9-20(23)28(36)37)27(35)30-12-5-13-31-32-29/h6-11,14-16H,5,12-13H2,1-4H3,(H-,30,35,36,37)
• InChI Key: LCCOWUGYZJZMIT-UHFFFAOYSA-N
• Purity: 0.95
• Storage: -20 °C in the dark