Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	58598
Common Name:	3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
Systematic Name:	3-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-diphenyl-2H-tetrazol-3-ium bromide
Synonyms:	2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-diphenyl-2H-tetrazol-3-ium bromide; 3-(4,5-Dimethylthiazolyl)-2,5-diphenyltetrazolium bromide; 3-(4,5-Dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide; 3-(4,5-dimethylthiazole-2-yl)-2,5-diphenyltetrazolium bromide; MMT Tetrazolium; MTT; Methylthiazoletetrazolium; TMCHB; Thiazolyl Blue Monotetrazolium; Thiazolyl blue; Thiazolyl blue tetrazolium bromide [PubChem Synonyms]
Exact Mass:	413.0310 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C18H16BrN5S
InChIKey:	AZKSAVLVSZKNRD-UHFFFAOYSA-M
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azoles [C0000436]
ClassyFire subclass:	Tetrazoles [C0000111]
ClassyFire direct parent:	Phenyltetrazoles and derivatives [C0000306]
SMILES:	Cc1c(C)sc(n1)[n+]1nc(c2ccccc2)nn1c1ccccc1.[Br-]
Studies:	-

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PubChem CID:	64965
CHEBI ID:	53233

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y