BDP TR methyltetrazine

Catalog Number

ACM2183473541-1

CAS

2183473-54-1

Synonyms

2-[4-(2,2-Difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide

IUPAC Name

2-[4-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide

Molecular Weight

607.5

Molecular Formula

C31H24BF2N7O2S

Canonical SMILES

[B-]1(N2C(C=CC2=CC3=CC=C(N31)C4=CC=CS4)C5=CC=C(C=C5)OCC(=O)NCC6=CC=C(C=C6)C7=NN=C(N=N7)C)(F)F

InChI

InChI=1S/C31H25BF2N7O2S/c1-20-36-38-31(39-37-20)23-6-4-21(5-7-23)18-35-30(42)19-43-26-12-8-22(9-13-26)27-14-10-24-17-25-11-15-28(29-3-2-16-44-29)41(25)32(33,34)40(24)27/h2-17,27H,18-19H2,1H3,(H,35,42)/q-1

InChI Key

MZDFKWBMDRSAJA-UHFFFAOYSA-N

Purity

98%

Storage

-20 °C in the dark

Excitation Maximum

589

• Catalog Number: ACM2183473541-1
• CAS: 2183473-54-1
• Synonyms: 2-[4-(2,2-Difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide
• IUPAC Name: 2-[4-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide
• Molecular Weight: 607.5
• Molecular Formula: C31H24BF2N7O2S
• Canonical SMILES: [B-]1(N2C(C=CC2=CC3=CC=C(N31)C4=CC=CS4)C5=CC=C(C=C5)OCC(=O)NCC6=CC=C(C=C6)C7=NN=C(N=N7)C)(F)F
• InChI: InChI=1S/C31H25BF2N7O2S/c1-20-36-38-31(39-37-20)23-6-4-21(5-7-23)18-35-30(42)19-43-26-12-8-22(9-13-26)27-14-10-24-17-25-11-15-28(29-3-2-16-44-29)41(25)32(33,34)40(24)27/h2-17,27H,18-19H2,1H3,(H,35,42)/q-1
• InChI Key: MZDFKWBMDRSAJA-UHFFFAOYSA-N
• Purity: 98%
• Storage: -20 °C in the dark
• Excitation Maximum: 589