2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner salt sodium salt (1:1)

C22H16N7NaO13S2CAS 111072-31-2673.52 g/mol

ON+O−OSO−OONNONHNN+SO−OON+O−OONa+
EtherNitroSulfonic acid

Properties

Molecular formula
C22H16N7NaO13S2
Molar mass
673.52 g/mol
Exact mass
673.0145 Da
logP
0.78Crippen estimate
Polar surface area
283.5 Ų
H-bond donors / acceptors
2 / 14
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Identifiers

CAS number
111072-31-2
SMILES
COc1cc([N+]([O-])=O)c(S([O-])(=O)=O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S([O-])(=O)=O)c([N+]([O-])=O)cc1OC.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt, sodium salt (1:1)
  • 2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt, monosodium salt
  • XTT (tetrazolium derivative)
  • XTT
  • Sodium 3′-[1-(phenylaminocarbonyl)-3,4-tetrazolium]bis(4-methoxy-6-nitro)benzenesulfonic acid

Work with 2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner salt sodium salt (1:1)

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere